 | | AES | | Name: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | | Formula: | C8 H10 F N O2 S | | SMILES: | O=S(F)(=O)c1ccc(cc1)CCN | | InChi: | InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 | | Synonyms: | AEBSF | | Definition date: | 2005-09-27 | | Last modified: | 2024-09-27 | | Identifier: | 4-(2-aminoethyl)benzenesulfonyl fluoride |
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 | | AFC | | Name: | (3R,12R)-3-amino-12-methyltetradecanoic acid | | Formula: | C15 H31 N O2 | | SMILES: | O=C(O)CC(N)CCCCCCCCC(C)CC | | InChi: | InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1 | | Definition date: | 2006-09-27 | | Last modified: | 2024-09-27 | | Identifier: | (3R,12R)-3-amino-12-methyltetradecanoic acid |
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 | | AG2 | | Name: | AGMATINE | | Formula: | C5 H14 N4 | | SMILES: | [N@H]=C(N)NCCCCN | | InChi: | InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) | | Synonyms: | (4-AMINOBUTYL)GUANIDINE | | Definition date: | 2002-10-04 | | Last modified: | 2024-09-27 | | Identifier: | 1-(4-aminobutyl)guanidine |
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 | | AG6 | | Name: | N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide | | Formula: | C35 H39 N3 O7 | | SMILES: | CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3 | | InChi: | InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1 | | Definition date: | 2009-02-23 | | Last modified: | 2024-09-27 | | Identifier: | (4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid |
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 | | AG7 | | Name: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Formula: | C31 H41 F N4 O7 | | SMILES: | O=C(NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccc(F)cc2)C(C)C)c3noc(c3)C | | InChi: | InChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22+,24+,28-/m0/s1 | | Synonyms: | RUPINTRIVIR, bound form | | Definition date: | 1999-08-20 | | Last modified: | 2024-09-27 | | Identifier: | ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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 | | AGD | | Name: | 3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine | | Formula: | C8 H10 N6 O3 | | SMILES: | O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N | | InChi: | InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1 | | Definition date: | 2008-02-12 | | Last modified: | 2024-09-27 | | Identifier: | 3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine |
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 | | AGM | | Name: | 5-METHYL-ARGININE | | Formula: | C7 H17 N4 O2 | | SMILES: | O=C(O)C(N)CCC(NC(=[NH2+])N)C | | InChi: | InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | amino{[(1S,4S)-4-amino-4-carboxy-1-methylbutyl]amino}methaniminium |
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 | | AGQ | | Name: | 3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine | | Formula: | C10 H13 N5 O4 | | SMILES: | O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N | | InChi: | InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1 | | Definition date: | 2010-05-17 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | AGT | | Name: | S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE | | Formula: | C8 H20 N4 O2 S | | SMILES: | O=C(O)C(N)CSC(NCCCCN)N | | InChi: | InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1 | | Definition date: | 2006-08-17 | | Last modified: | 2024-09-27 | | Identifier: | S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine |
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 | | AH0 | | Name: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID | | Formula: | C11 H17 N O7 | | SMILES: | O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C | | InChi: | InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1 | | Synonyms: | 1,6-anhydro-N-acetylmuramic acid | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name) |
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 | | AHB | | Name: | BETA-HYDROXYASPARAGINE | | Formula: | C4 H8 N2 O4 | | SMILES: | O=C(O)C(N)C(O)C(=O)N | | InChi: | InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-hydroxy-L-asparagine |
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 | | AHH | | Name: | AMINO-HYDROXYHEPTANOIC ACID | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(O)C(N)CCCC | | InChi: | InChI=1S/C7H15NO3/c1-2-3-4-5(8)6(9)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R)-3-amino-2-hydroxyheptanoic acid |
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 | | AHO | | Name: | N-ACETYL-N-HYDROXY-L-ORNITHINE | | Formula: | C7 H14 N2 O4 | | SMILES: | O=C(N(O)CCCC(N)C(=O)O)C | | InChi: | InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1 | | Synonyms: | 5-(ACETYL-HYDROXY-AMINO)-2-AMINO-PENTANOIC ACID | | Definition date: | 1999-08-13 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-acetyl-N~5~-hydroxy-L-ornithine |
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 | | AHP | | Name: | 2-AMINO-HEPTANOIC ACID | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)CCCCC | | InChi: | InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2000-06-15 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-aminoheptanoic acid |
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 | | AHR | | Name: | alpha-L-arabinofuranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(OC(O)C1O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1 | | Synonyms: | alpha-L-arabinose | | Definition date: | 2002-04-23 | | Last modified: | 2024-09-27 | | Identifier: | alpha-L-arabinofuranose |
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 | | AHY | | Name: | (2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID | | Formula: | C10 H21 N O3 | | SMILES: | O=C(O)C(O)C(N)CCCCCCC | | InChi: | InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,12H,2-7,11H2,1H3,(H,13,14)/t8-,9+/m1/s1 | | Definition date: | 2006-11-06 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R)-3-amino-2-hydroxydecanoic acid |
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 | | AI8 | | Name: | Ceftaroline, bound form | | Formula: | C22 H23 N8 O5 S4 | | SMILES: | [O-]C(=O)C=3NC(SCC=3Sc2nc(c1cc[n+](cc1)C)cs2)C(C=O)NC(=O)C(=NOCC)/c4nc(sn4)N | | InChi: | InChI=1S/C22H22N8O5S4/c1-3-35-28-16(17-27-21(23)39-29-17)18(32)24-12(8-31)19-26-15(20(33)34)14(10-36-19)38-22-25-13(9-37-22)11-4-6-30(2)7-5-11/h4-9,12,19,26H,3,10H2,1-2H3,(H3-,23,24,27,29,32,33,34)/t12-,19-/m1/s1 | | Definition date: | 2012-12-13 | | Last modified: | 2024-09-27 | | Release date: | 2013-10-09 | | Identifier: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-oxoethyl]-5-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
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 | | AIA | | Name: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE | | Formula: | C14 H23 N3 O | | SMILES: | O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2 | | InChi: | InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1 | | Definition date: | 2006-03-28 | | Last modified: | 2024-09-27 | | Identifier: | (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine |
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 | | AIB | | Name: | ALPHA-AMINOISOBUTYRIC ACID | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)(C)C | | InChi: | InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-methyl-L-alanine |
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 | | AIE | | Name: | 3-ethanoyl-N-phenyl-benzamide | | Formula: | C15 H13 N O2 | | SMILES: | CC(=O)c1cccc(c1)C(=O)Nc2ccccc2 | | InChi: | InChI=1S/C15H13NO2/c1-11(17)12-6-5-7-13(10-12)15(18)16-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,18) | | Synonyms: | AKOS000277907 | | Definition date: | 2023-05-16 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-15 | | Identifier: | 3-ethanoyl-~{N}-phenyl-benzamide |
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 | | AIO | | Name: | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID | | Formula: | C13 H26 B N3 O4 | | SMILES: | O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC | | InChi: | InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1 | | Definition date: | 2007-02-23 | | Last modified: | 2024-09-27 | | Identifier: | [(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid |
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 | | AIR | | Name: | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE | | Formula: | C8 H14 N3 O7 P | | SMILES: | O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O | | InChi: | InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-10-21 | | Last modified: | 2024-09-27 | | Identifier: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine |
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 | | AIX | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C16 H21 N3 O4 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N | | InChi: | InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12+,14-/m1/s1 | | Synonyms: | AMPICILLIN (open form) | | Definition date: | 2009-07-02 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | AJ3 | | Name: | 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL | | Formula: | C6 H10 O S2 | | SMILES: | O=S(CC=C)CC=CS | | InChi: | InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol |
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 | | AJE | | Name: | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid | | Formula: | C9 H14 N2 O5 | | SMILES: | O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O | | InChi: | InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1 | | Definition date: | 2015-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-09 | | Identifier: | (3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid |
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