 | AWQ | Name: | 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C11 H15 N O4 | SMILES: | Cc1[nH]c(C)c(CC(O)=O)c1CCC(O)=O | InChi: | InChI=1S/C11H15NO4/c1-6-8(3-4-10(13)14)9(5-11(15)16)7(2)12-6/h12H,3-5H2,1-2H3,(H,13,14)(H,15,16) | Definition date: | 2017-08-29 | Last modified: | 2024-09-27 | Release date: | 2017-09-06 | Identifier: | 3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | AWX | Name: | N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Formula: | C25 H22 N6 O3 | SMILES: | C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O | InChi: | InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33) | Definition date: | 2018-12-04 | Last modified: | 2024-09-27 | Release date: | 2019-10-23 | Identifier: | N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide |
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 | 2CO | Name: | S-HYDROPEROXYCYSTEINE | Formula: | C3 H7 N O4 S | SMILES: | O=C(O)C(N)CSOO | InChi: | InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | Definition date: | 2007-01-16 | Last modified: | 2024-09-27 | Identifier: | S-hydroperoxy-L-cysteine |
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 | AX9 | Name: | DiCys-(15,16)-Dihydrobiliverdin | Formula: | C33 H40 N4 O6 | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1 | Synonyms: | 15,16-DIHYDROBILIVERDIN (double Cys bound form) | Definition date: | 2021-11-11 | Last modified: | 2024-09-27 | Release date: | 2023-02-15 | Identifier: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid |
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 | AXD | Name: | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | Formula: | C21 H29 N5 O3 | SMILES: | O=C(O)c1cc(ncc1)N3CCC(NCC(=O)N2C(C#C)CCC2CN)(CC3)C | InChi: | InChI=1S/C21H29N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,13-14,22H2,2H3,(H,28,29)/t16-,17-/m0/s1 | Definition date: | 2006-08-23 | Last modified: | 2024-09-27 | Identifier: | 2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid |
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 | AXL | Name: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | Formula: | C16 H21 N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccc(O)cc2)N | InChi: | InChI=1S/C16H21N3O5S/c1-16(2)12(15(23)24)19-14(25-16)10(7-20)18-13(22)11(17)8-3-5-9(21)6-4-8/h3-7,10-12,14,19,21H,17H2,1-2H3,(H,18,22)(H,23,24)/t10-,11-,12+,14-/m1/s1 | Synonyms: | AMOXICILLIN, bound form | Definition date: | 2002-05-07 | Last modified: | 2024-09-27 | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | 2DA | Name: | 2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE | Formula: | C10 H14 N5 O5 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3 | InChi: | InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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 | 2DB | Name: | (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE | Formula: | C3 H10 B O6 | SMILES: | O[B-](O)(O)OCC(O)CO | InChi: | InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1 | Definition date: | 2006-09-19 | Last modified: | 2024-09-27 | Identifier: | trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-) |
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 | 2DG | Name: | 2-deoxy-alpha-D-galactopyranose | Formula: | C6 H12 O5 | SMILES: | OC1C(OC(O)CC1O)CO | InChi: | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1 | Synonyms: | 2-deoxy-alpha-D-lyxo-hexopyranose | Definition date: | 2001-10-02 | Last modified: | 2024-09-27 | Identifier: | 2-deoxy-alpha-D-lyxo-hexopyranose |
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 | AY0 | Name: | (1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid | Formula: | C12 H14 N O7 P | SMILES: | O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O | InChi: | InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1 | Definition date: | 2010-10-09 | Last modified: | 2024-09-27 | Identifier: | (1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid |
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 | 2DO | Name: | (2S)-2-AMINOHEXANE-1,1-DIOL | Formula: | C6 H15 N O2 | SMILES: | OC(O)C(N)CCCC | InChi: | InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1 | Definition date: | 2005-09-26 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-aminohexane-1,1-diol |
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 | 2DR | Name: | 2-deoxy-beta-D-erythro-pentofuranose | Formula: | C5 H10 O4 | SMILES: | OCC1OC(O)CC1O | InChi: | InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1 | Synonyms: | 2-deoxy-beta-D-ribofuranose | Definition date: | 2009-07-20 | Last modified: | 2024-09-27 | Identifier: | 2-deoxy-beta-D-erythro-pentofuranose |
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 | AYA | Name: | N-ACETYLALANINE | Formula: | C5 H9 N O3 | SMILES: | O=C(NC(C(=O)O)C)C | InChi: | InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-acetyl-L-alanine |
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 | AYC | Name: | ALAREMYCIN 2 | Formula: | C8 H13 N O4 | SMILES: | O=C(C(NC(=O)C)C)CCC(=O)O | InChi: | InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1 | Synonyms: | (5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID | Definition date: | 2009-07-27 | Last modified: | 2024-09-27 | Identifier: | (5R)-5-(acetylamino)-4-oxohexanoic acid |
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 | 2EI | Name: | 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one | Formula: | C32 H33 N5 O3 | SMILES: | CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4 | InChi: | InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1 | Definition date: | 2023-07-11 | Last modified: | 2024-09-27 | Release date: | 2024-06-05 | Identifier: | 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one |
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 | AZ0 | Name: | ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate | Formula: | C30 H48 N4 O8 | SMILES: | O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1 | Definition date: | 2009-03-18 | Last modified: | 2024-09-27 | Identifier: | ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate |
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 | AZ1 | Name: | AZELAIC ACID | Formula: | C9 H16 O4 | SMILES: | O=C(O)CCCCCCCC(=O)O | InChi: | InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) | Definition date: | 2004-07-07 | Last modified: | 2024-09-27 | Identifier: | nonanedioic acid |
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 | 2EV | Name: | (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide | Formula: | C18 H23 Cl N4 O5 S | SMILES: | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3 | InChi: | InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1 | Definition date: | 2013-10-01 | Last modified: | 2024-09-27 | Release date: | 2014-08-20 | Identifier: | (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide |
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 | 2EW | Name: | (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide | Formula: | C18 H24 N4 O5 S | SMILES: | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3 | InChi: | InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1 | Definition date: | 2013-10-01 | Last modified: | 2024-09-27 | Release date: | 2014-09-10 | Identifier: | (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide |
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 | AZE | Name: | ALL-TRANS AXEROPHTHENE | Formula: | C20 H30 | SMILES: | C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC)C)C | InChi: | InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+ | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene |
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 | 2F3 | Name: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid | Formula: | C25 H17 Cl F N3 O3 | SMILES: | O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C | InChi: | InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33) | Definition date: | 2013-10-07 | Last modified: | 2024-09-27 | Release date: | 2013-12-11 | Identifier: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid |
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 | AZH | Name: | AZIDOHOMOALANINE | Formula: | C4 H9 N4 O2 | SMILES: | O=C(O)C(N)CCN=[N+]=[N@H] | InChi: | InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3,6H,1-2,5H2/p+1/t3-/m0/s1 | Definition date: | 2010-08-09 | Last modified: | 2024-09-27 | Identifier: | 1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium |
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 | AZI | Name: | AZIDE ION | Formula: | N3 | SMILES: | [N-]=[N+]=[N-] | InChi: | InChI=1S/N3/c1-3-2/q-1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | azide |
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 | AZK | Name: | (S)-2-AMINO-6-AZIDOHEXANOIC ACID | Formula: | C6 H14 N4 O | SMILES: | [N-]=[N+]=N/CCCCC(N)CO | InChi: | InChI=1S/C6H14N4O/c7-6(5-11)3-1-2-4-9-10-8/h6,11H,1-5,7H2/t6-/m0/s1 | Synonyms: | EPSILON-AZIDO-LYSINE | Definition date: | 2005-08-04 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-6-azidohexan-1-ol |
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 | AZM | Name: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE | Formula: | C4 H6 N4 O3 S2 | SMILES: | O=S(=O)(c1nnc(s1)NC(=O)C)N | InChi: | InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
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