 | | 6NA | | Name: | HEXANOIC ACID | | Formula: | C6 H12 O2 | | SMILES: | O=C(O)CCCCC | | InChi: | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) | | Definition date: | 2006-07-05 | | Last modified: | 2025-04-16 | | Identifier: | hexanoic acid |
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 | | AMP | | Name: | ADENOSINE MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2025-04-15 | | Identifier: | 5'-adenylic acid |
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 | | GXB | | Name: | Sialylated precision glycomacromolecule | | Formula: | C92 H141 N21 O37 | | SMILES: | CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4 | | InChi: | InChI=1S/C92H141N21O37/c1-58(116)94-22-32-110(87(135)63-8-4-61(5-9-63)50-112-52-65(106-108-112)56-147-91(89(137)138)48-67(119)81(104-59(2)117)85(149-91)83(133)69(121)54-114)33-24-96-73(125)14-16-75(127)98-26-36-141-42-44-143-38-28-100-77(129)18-20-79(131)102-30-40-145-46-47-146-41-31-103-80(132)21-19-78(130)101-29-39-144-45-43-142-37-27-99-76(128)17-15-74(126)97-25-35-111(34-23-95-72(124)13-12-71(93)123)88(136)64-10-6-62(7-11-64)51-113-53-66(107-109-113)57-148-92(90(139)140)49-68(120)82(105-60(3)118)86(150-92)84(134)70(122)55-115/h4-11,52-53,67-70,81-86,114-115,119-122,133-134H,12-51,54-57H2,1-3H3,(H2,93,123)(H,94,116)(H,95,124)(H,96,125)(H,97,126)(H,98,127)(H,99,128)(H,100,129)(H,101,130)(H,102,131)(H,103,132)(H,104,117)(H,105,118)(H,137,138)(H,139,140)/t67?,68-,69?,70+,81?,82+,83?,84+,85?,86+,91?,92+/m0/s1 | | Definition date: | 2018-10-15 | | Last modified: | 2025-04-14 | | Release date: | 2019-03-27 | | Identifier: | (2~{S},4~{R},5~{R},6~{R})-5-acetamido-2-[[1-[[4-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[[4-[[4-[[(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]carbonyl-[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]ethyl]amino]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethyl-(2-acetamidoethyl)carbamoyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-4-oxidanyl-6-[(1~{S},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid |
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 | | RFQ | | Name: | N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide | | Formula: | C24 H22 N4 O2 S2 | | SMILES: | N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4 | | InChi: | InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1 | | Definition date: | 2014-10-24 | | Last modified: | 2025-04-14 | | Release date: | 2015-01-14 | | Identifier: | N-{3-[(1S)-1-hydroxy-2-(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}phenoxy)ethyl]phenyl}thiophene-2-carboximidamide |
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 | | YGK | | Name: | Monoepoxidized farnesyl acetate | | Formula: | C17 H28 O3 | | SMILES: | CC(=O)OCC=C(C)CCC=C(C)CC[CH]1OC1(C)C | | InChi: | InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1 | | Synonyms: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate | | Definition date: | 2023-12-04 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate |
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 | | Y65 | | Name: | (2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid | | Formula: | C21 H30 N8 O15 P2 | | SMILES: | N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O | | InChi: | InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1 | | Definition date: | 2023-11-21 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid |
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 | | YK6 | | Name: | diepoxidized farnesyl acetate | | Formula: | C17 H28 O4 | | SMILES: | CC(=O)OCC=C(C)CC[CH]1O[C]1(C)CC[CH]2OC2(C)C | | InChi: | InChI=1S/C17H28O4/c1-12(9-11-19-13(2)18)6-7-15-17(5,21-15)10-8-14-16(3,4)20-14/h9,14-15H,6-8,10-11H2,1-5H3/b12-9+/t14-,15+,17+/m1/s1 | | Synonyms: | [(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate | | Definition date: | 2023-12-05 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | [(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate |
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 | | WLZ | | Name: | (4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione | | Formula: | C18 H21 F O7 | | SMILES: | C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C18H21FO7/c1-9-5-6-12(19)16(23)17(24)13(21)4-2-3-10-7-11(20)8-14(22)15(10)18(25)26-9/h2-3,7-9,12-13,17,20-22,24H,4-6H2,1H3/t9-,12-,13-,17?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
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 | | WM6 | | Name: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | | Formula: | C16 H20 O9 | | SMILES: | O[CH]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H2/t11-,14+,15+/m1/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | | WMC | | Name: | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | | Formula: | C16 H20 O8 | | SMILES: | O[CH]1CCOc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH]1O | | InChi: | InChI=1S/C16H20O8/c17-9-7-12(20)14-13(8-9)23-6-4-11(19)15(21)10(18)3-1-2-5-24-16(14)22/h7-8,11,15,17,19-21H,1-6H2 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | | XFQ | | Name: | furanodienone | | Formula: | C15 H18 O2 | | SMILES: | CC1=CC(=O)c2c(C)coc2CC(=CCC1)C | | InChi: | InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3 | | Synonyms: | 3,6,10-trimethyl-8,11-dihydro-7~{H}-cyclodeca[b]furan-4-one | | Definition date: | 2023-11-01 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 3,6,10-trimethyl-8,11-dihydro-7~{H}-cyclodeca[b]furan-4-one |
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 | | WMI | | Name: | (4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione | | Formula: | C18 H24 O7 | | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C18H24O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,14,17,19,21-23H,2-7H2,1H3/t10-,14-,17?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione |
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 | | WMN | | Name: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione | | Formula: | C19 H24 O7 | | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione |
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 | | WMT | | Name: | (5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | | Formula: | C17 H21 F O8 | | SMILES: | C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C17H21FO8/c1-8-2-3-10(18)15(22)16(23)11(20)4-5-25-13-7-9(19)6-12(21)14(13)17(24)26-8/h6-8,10-11,16,19-21,23H,2-5H2,1H3/t8-,10-,11-,16?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | | WMX | | Name: | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione | | Formula: | C22 H32 O8 | | SMILES: | CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1 | | InChi: | InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
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 | | WN2 | | Name: | (4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione | | Formula: | C19 H26 O7 | | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCCc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C19H26O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h9-11,14,18,20-21,23-24H,2-8H2,1H3/t11-,14?,18?/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
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 | | WN8 | | Name: | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione | | Formula: | C18 H24 O8 | | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCOc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C18H24O8/c1-10-4-2-5-12(20)17(23)13(21)6-3-7-25-15-9-11(19)8-14(22)16(15)18(24)26-10/h8-10,13,17,19,21-23H,2-7H2,1H3/t10-,13?,17+/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione |
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 | | WNC | | Name: | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione | | Formula: | C17 H22 O8 | | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1 | | InChi: | InChI=1S/C17H22O8/c1-9-3-2-4-11(19)16(22)12(20)5-6-24-14-8-10(18)7-13(21)15(14)17(23)25-9/h7-9,12,16,18,20-22H,2-6H2,1H3/t9-,12-,16-/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione |
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 | | WQ9 | | Name: | 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone | | Formula: | C15 H17 Br Cl F N2 O3 S | | SMILES: | Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C]3(CCN(C3)C(=O)CCl)C2 | | InChi: | InChI=1S/C15H17BrClFN2O3S/c16-12-2-1-11(7-13(12)18)24(22,23)20-6-4-15(10-20)3-5-19(9-15)14(21)8-17/h1-2,7H,3-6,8-10H2/t15-/m1/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone |
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 | | WQI | | Name: | 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C14 H18 Cl I N2 O3 S | | SMILES: | ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(I)cc2 | | InChi: | InChI=1S/C14H18ClIN2O3S/c15-9-14(19)17-10-11-5-7-18(8-6-11)22(20,21)13-3-1-12(16)2-4-13/h1-4,11H,5-10H2,(H,17,19) | | Definition date: | 2023-10-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide |
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 | | TJQ | | Name: | ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate | | Formula: | C20 H24 N2 O5 | | SMILES: | CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2 | | InChi: | InChI=1S/C20H24N2O5/c1-5-22(10-14-7-8-15-16(9-14)27-11-26-15)19(23)18-12(3)17(13(4)21-18)20(24)25-6-2/h7-9,21H,5-6,10-11H2,1-4H3 | | Definition date: | 2023-01-06 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate |
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 | | A1AZQ | | Name: | N-(2-phenylethyl)glycine | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)CNCCc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c12-10(13)8-11-7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13) | | Definition date: | 2024-07-24 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | N-(2-phenylethyl)glycine |
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 | | A1A1Y | | Name: | (2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide | | Formula: | C25 H30 N6 O2 | | SMILES: | O=C(NCCc1ccc2[NH]c(N)nc2c1)C1CCN1C(=O)C1CC(CCN1)c1ccccc1 | | InChi: | InChI=1S/C25H30N6O2/c26-25-29-19-7-6-16(14-20(19)30-25)8-11-28-23(32)22-10-13-31(22)24(33)21-15-18(9-12-27-21)17-4-2-1-3-5-17/h1-7,14,18,21-22,27H,8-13,15H2,(H,28,32)(H3,26,29,30)/t18-,21+,22-/m0/s1 | | Definition date: | 2024-08-13 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide |
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 | | A1A1Z | | Name: | N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide | | Formula: | C24 H23 N5 O3 S | | SMILES: | Nc1nc(c[NH]1)c1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 | | InChi: | InChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28) | | Definition date: | 2024-08-13 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide |
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 | | A1A5S | | Name: | 1-[(3S)-4-chloro-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan | | Formula: | C16 H21 Cl N2 O3 | | SMILES: | O=C(O)C(N)Cc1cn(c2ccccc21)C(C)(C)C(O)CCl | | InChi: | InChI=1S/C16H21ClN2O3/c1-16(2,14(20)8-17)19-9-10(7-12(18)15(21)22)11-5-3-4-6-13(11)19/h3-6,9,12,14,20H,7-8,18H2,1-2H3,(H,21,22)/t12-,14+/m0/s1 | | Definition date: | 2024-09-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 1-[(3S)-4-chloro-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan |
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