 | | 7MD | | Name: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine | | Formula: | C17 H27 N8 O9 P | | SMILES: | O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1 | | Definition date: | 2011-09-11 | | Last modified: | 2024-10-07 | | Identifier: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine |
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 | | UF0 | | Name: | O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine | | Formula: | C16 H31 N4 O11 P | | SMILES: | CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO | | InChi: | InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1 | | Definition date: | 2009-11-20 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid |
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 | | SFE | | Name: | (3S)-3-amino-3-phenylpropanoic acid | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)CC(N)c1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | S-BETA-PHENYLALANINE | | Definition date: | 2011-05-30 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-3-phenylpropanoic acid |
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 | | XPC | | Name: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid | | Formula: | C5 H10 N2 O2 | | SMILES: | O=C(O)C1CNCC1N | | InChi: | InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1 | | Synonyms: | (3R,4S)-3-Aminopyrrolidine-4-carboxylic acid | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid |
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 | | XPL | | Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine | | Formula: | C12 H24 N4 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C | | InChi: | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 | | Synonyms: | 4-amino reduced pyrrolysine | | Definition date: | 2014-07-30 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
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 | | XPM | | Name: | tetradecylpropanedioic acid | | Formula: | C17 H32 O4 | | SMILES: | O=C(O)C(C(=O)O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2011-10-05 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | tetradecylpropanedioic acid |
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 | | HTR | | Name: | BETA-HYDROXYTRYPTOPHANE | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)C(O)c2c1ccccc1nc2 | | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (betaS)-beta-hydroxy-L-tryptophan |
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 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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 | | HTY | | Name: | (betaR)-beta-hydroxy-D-tyrosine | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1 | | Definition date: | 2002-09-02 | | Last modified: | 2024-09-27 | | Identifier: | (betaR)-beta-hydroxy-D-tyrosine |
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 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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 | | SUJ | | Name: | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C | | InChi: | InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1 | | Definition date: | 2003-07-31 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid |
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 | | V9M | | Name: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium | | Formula: | C15 H32 N O2 | | SMILES: | C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O | | InChi: | InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1 | | Definition date: | 2020-07-21 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-16 | | Identifier: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium |
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 | | SH1 | | Name: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE | | Formula: | C20 H34 N6 O6 S | | SMILES: | O=C(NC(CCC/N=C(N)N)CO)C(NC(=O)C(NS(=O)(=O)CCc1ccccc1)CO)C | | InChi: | InChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide |
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 | | SV6 | | Name: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | | Formula: | C36 H55 N7 O6 | | SMILES: | O=C(NC1CC1)C(O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)c2nccnc2)C3CCCCC3)C(C)(C)C)CC5CCCC45)CCC | | InChi: | InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29+,30+/m0/s1 | | Synonyms: | TELAPREVIR, bound form | | Definition date: | 2011-08-08 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-31 | | Identifier: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide (non-preferred name) |
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 | | XCN | | Name: | S-cyano-L-cysteine | | Formula: | C4 H6 N2 O2 S | | SMILES: | O=C(O)C(N)CSC#N | | InChi: | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2010-09-21 | | Last modified: | 2024-09-27 | | Identifier: | S-cyano-L-cysteine |
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 | | TOQ | | Name: | 6,7-dihydroxy-L-tryptophan | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2 | | InChi: | InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1 | | Definition date: | 2011-07-22 | | Last modified: | 2024-09-27 | | Identifier: | 6,7-dihydroxy-L-tryptophan |
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 | | XCP | | Name: | (1S,2S)-2-aminocyclopentanecarboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCC1N | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-2-aminocyclopentanecarboxylic acid |
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 | | ZZU | | Name: | (2S,3S)-3-HYDROXYARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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 | | VOL | | Name: | L-VALINOL | | Formula: | C5 H13 N O | | SMILES: | OCC(N)C(C)C | | InChi: | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1 | | Definition date: | 2002-06-26 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-methylbutan-1-ol |
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 | | XD1 | | Name: | (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C8 H14 N2 O3 S | | SMILES: | O=C(O)C1NC(SC1(C)C)C(N)C=O | | InChi: | InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1 | | Synonyms: | 6-aminopenicillian, bound form | | Definition date: | 2010-06-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | W4T | | Name: | 3-bromo-S-beta-phenylalanine | | Formula: | C9 H10 Br N O2 | | SMILES: | N[CH](CC(O)=O)c1cccc(Br)c1 | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | (3S)-3-azanyl-3-(3-bromophenyl)propanoic acid | | Definition date: | 2023-04-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-01-10 | | Identifier: | (3~{S})-3-azanyl-3-(3-bromophenyl)propanoic acid |
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 | | VAD | | Name: | DEAMINOHYDROXYVALINE | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)C(O)C(C)C | | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-hydroxy-3-methylbutanoic acid |
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 | | VAH | | Name: | (3R)-3-hydroxy-L-norvaline | | Formula: | C5 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)CC | | InChi: | InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1 | | Synonyms: | L-3-Hydroxynorvaline | | Definition date: | 2010-06-16 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-hydroxy-L-norvaline |
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 | | VAI | | Name: | (2S)-2-amino-3-methylbutane-1,1-diol | | Formula: | C5 H13 N O2 | | SMILES: | OC(O)C(N)C(C)C | | InChi: | InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1 | | Definition date: | 2011-02-01 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-methylbutane-1,1-diol |
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 | | VPF | | Name: | N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide | | Formula: | C22 H32 N3 O8 P | | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2 | | InChi: | InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1 | | Definition date: | 2012-02-10 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-18 | | Identifier: | N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide |
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