 | | TY8 | | Name: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | | Formula: | C9 H11 N O7 | | SMILES: | O=C(O)C(N)Cc1c(OO)cc(OO)c(O)c1 | | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)3-7(4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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 | | TY9 | | Name: | 3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine | | Formula: | C9 H11 N O7 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(OO)c(OO)c1 | | InChi: | InChI=1S/C9H11NO7/c10-5(9(12)13)1-4-2-6(11)8(17-15)7(3-4)16-14/h2-3,5,11,14-15H,1,10H2,(H,12,13)/t5-/m0/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2024-09-27 | | Identifier: | 3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
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 | | TYE | | Name: | 4-[(2S)-2-amino-3-hydroxypropyl]phenol | | Formula: | C9 H13 N O2 | | SMILES: | Oc1ccc(cc1)CC(N)CO | | InChi: | InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1 | | Synonyms: | tyrosinol | | Definition date: | 2010-10-11 | | Last modified: | 2024-09-27 | | Identifier: | 4-[(2S)-2-amino-3-hydroxypropyl]phenol |
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 | | TYW | | Name: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol | | Formula: | C9 H13 N O3 | | SMILES: | Oc1ccc(cc1)CC(N)C(O)O | | InChi: | InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1 | | Definition date: | 2011-09-27 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
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 | | CB9 | | Name: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C17 H20 N2 O6 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)C(=O)O | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)12(16(24)25)19-14(26-17)10(8-20)18-13(21)11(15(22)23)9-6-4-3-5-7-9/h3-8,10-12,14,19H,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t10-,11+,12+,14-/m1/s1 | | Synonyms: | Bound form of Carbenicillin | | Definition date: | 2010-10-12 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | CBU | | Name: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1 | | Definition date: | 2008-05-03 | | Last modified: | 2024-09-27 | | Identifier: | (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol |
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 | | CDE | | Name: | 1,2-DIMETHYL-PROPYLAMINE | | Formula: | C5 H13 N | | SMILES: | NC(C)C(C)C | | InChi: | InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-3-methylbutan-2-amine |
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 | | K2Z | | Name: | benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate | | Formula: | C27 H45 N5 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(CC)C(O)C(=O)NCCCN2CCN(CC2)C)CC(C)C | | InChi: | InChI=1S/C27H45N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-24,33H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22-,23-,24-/m0/s1 | | Definition date: | 2007-12-08 | | Last modified: | 2024-09-27 | | Identifier: | benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate (non-preferred name) |
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 | | K7I | | Name: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide | | Formula: | C16 H25 N3 O3 | | SMILES: | O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C | | InChi: | InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1 | | Synonyms: | ALA-ALA-PHE-CHLOROMETHYL KETONE | | Definition date: | 2007-11-12 | | Last modified: | 2024-09-27 | | Identifier: | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide |
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 | | K7J | | Name: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | | Formula: | C25 H35 Cl N4 O7 | | SMILES: | O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2 | | InChi: | InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1 | | Synonyms: | SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE | | Definition date: | 2007-11-12 | | Last modified: | 2024-09-27 | | Identifier: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide |
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 | | 00C | | Name: | 3-sulfo-D-alanine | | Formula: | C3 H7 N O5 S | | SMILES: | O=C(O)C(N)CS(=O)(=O)O | | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1 | | Synonyms: | D-Cysteine sulfinic acid | | Definition date: | 2008-12-24 | | Last modified: | 2024-09-27 | | Identifier: | 3-sulfo-D-alanine |
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 | | 00I | | Name: | N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine | | Formula: | C30 H35 N5 O6 S | | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4 | | InChi: | InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1 | | Definition date: | 2010-10-19 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine |
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 | | 00K | | Name: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | | Formula: | C28 H44 N6 O4 | | SMILES: | O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN | | InChi: | InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1 | | Synonyms: | MOL-106 | | Definition date: | 2010-10-27 | | Last modified: | 2024-09-27 | | Identifier: | (1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
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 | | 00L | | Name: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | | Formula: | C30 H42 N8 O4 | | SMILES: | O=C(NCCc1ccccc1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCNC(=[N@H])N | | InChi: | InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1 | | Synonyms: | MOL-126 | | Definition date: | 2010-10-28 | | Last modified: | 2024-09-27 | | Identifier: | (1S,7S)-7-amino-7-benzyl-N-{(2S,3S)-6-carbamimidamido-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]hexan-3-yl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
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 | | 00N | | Name: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra
zolo[1,2-a]pyridazine-1-carboxamide | | Formula: | C24 H34 N8 O3 S | | SMILES: | O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4 | | InChi: | InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1 | | Synonyms: | MOL-127 | | Definition date: | 2010-10-28 | | Last modified: | 2024-09-27 | | Identifier: | (1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
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 | | 00Q | | Name: | D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide | | Formula: | C27 H35 N7 O3 S | | SMILES: | O=C(N1CCCC1C(=O)NC(CCCNC(=[N@H])N)C(O)c2nc3ccccc3s2)C(N)Cc4ccccc4 | | InChi: | InChI=1S/C27H35N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21,23,35H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20+,21+,23+/m1/s1 | | Synonyms: | RWJ-30353 | | Definition date: | 2010-10-28 | | Last modified: | 2024-09-27 | | Identifier: | D-phenylalanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-prolinamide |
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 | | KBE | | Name: | beta-lysine | | Formula: | C6 H14 N2 O2 | | SMILES: | NCCC[CH](N)CC(O)=O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (3S)-3,6-diaminohexanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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 | | KCY | | Name: | D-homocysteine | | Formula: | C4 H9 N O2 S | | SMILES: | C(C(N)CCS)(=O)O | | InChi: | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | | Definition date: | 2015-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2015-04-15 | | Identifier: | D-homocysteine |
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 | | KDG | | Name: | 2-KETO-3-DEOXYGLUCONATE | | Formula: | C6 H10 O6 | | SMILES: | O=C(C(=O)O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1 | | Definition date: | 2004-04-12 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-erythro-hex-2-ulosonic acid |
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 | | 060 | | Name: | S-methyl-D-cysteine | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)CSC | | InChi: | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | | Definition date: | 2013-01-25 | | Last modified: | 2024-09-27 | | Release date: | 2013-03-20 | | Identifier: | S-methyl-D-cysteine |
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 | | VDL | | Name: | (2R,3R)-2,3-DIAMINOBUTANOIC ACID | | Formula: | C4 H10 N2 O2 | | SMILES: | O=C(O)C(N)C(N)C | | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1 | | Synonyms: | D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID | | Definition date: | 2004-07-16 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R)-2,3-diaminobutanoic acid |
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 | | 0AR | | Name: | N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide | | Formula: | C8 H16 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)C | | InChi: | InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1 | | Definition date: | 2009-07-10 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-(N-acetylcarbamimidoyl)-L-ornithine |
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 | | CPC | | Name: | 2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1(NC)CC1C | | InChi: | InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-2-methyl-1-(methylamino)cyclopropanecarboxylic acid |
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 | | VLL | | Name: | (2S)-2,3-DIAMINOBUTANOIC ACID | | Formula: | C4 H10 N2 O2 | | SMILES: | O=C(O)C(N)C(N)C | | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1 | | Synonyms: | L-THREO-2,3-DIAMINO-BUTYRIC ACID | | Definition date: | 2004-07-16 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R)-2,3-diaminobutanoic acid |
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 | | VLM | | Name: | VALINYLAMINE | | Formula: | C5 H12 N2 O | | SMILES: | O=C(N)C(N)C(C)C | | InChi: | InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-valinamide |
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