 | | 02C | | Name: | 2-(aminomethyl)-1,3-thiazole-4-carboximidamide | | Formula: | C5 H8 N4 S | | SMILES: | n1c(C(=[N@H])N)csc1CN | | InChi: | InChI=1S/C5H8N4S/c6-1-4-9-3(2-10-4)5(7)8/h2H,1,6H2,(H3,7,8) | | Definition date: | 2011-02-25 | | Last modified: | 2012-01-13 | | Identifier: | 2-(aminomethyl)-1,3-thiazole-4-carboximidamide |
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 | | 02D | | Name: | 5-(aminomethyl)thiophene-2-carboximidamide | | Formula: | C6 H9 N3 S | | SMILES: | [N@H]=C(N)c1sc(cc1)CN | | InChi: | InChI=1S/C6H9N3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H3,8,9) | | Definition date: | 2011-02-25 | | Last modified: | 2012-01-13 | | Identifier: | 5-(aminomethyl)thiophene-2-carboximidamide |
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 | | 02E | | Name: | (E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine | | Formula: | C17 H22 N O5 P | | SMILES: | OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)CC=COC | | InChi: | InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1 | | Definition date: | 2011-04-06 | | Last modified: | 2012-01-13 | | Identifier: | [(1S,3E)-1-amino-4-methoxybut-3-en-1-yl](dihydroxy)diphenoxy-lambda~5~-phosphane |
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 | | 02F | | Name: | [(1S)-1-amino-4-methoxybutyl]phosphonic acid | | Formula: | C5 H14 N O4 P | | SMILES: | O=P(O)(O)C(N)CCCOC | | InChi: | InChI=1S/C5H14NO4P/c1-10-4-2-3-5(6)11(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m0/s1 | | Definition date: | 2011-04-06 | | Last modified: | 2012-01-13 | | Identifier: | [(1S)-1-amino-4-methoxybutyl]phosphonic acid |
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 | | 02R | | Name: | 1-(2-chlorophenyl)methanamine | | Formula: | C7 H8 Cl N | | SMILES: | Clc1ccccc1CN | | InChi: | InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 | | Definition date: | 2011-06-24 | | Last modified: | 2012-01-13 | | Identifier: | 1-(2-chlorophenyl)methanamine |
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 | | 02S | | Name: | 4-(benzyloxy)benzoic acid | | Formula: | C14 H12 O3 | | SMILES: | O=C(O)c2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16) | | Definition date: | 2011-06-27 | | Last modified: | 2012-01-13 | | Identifier: | 4-(benzyloxy)benzoic acid |
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 | | 02T | | Name: | 1-(3-methylthiophen-2-yl)methanamine | | Formula: | C6 H9 N S | | SMILES: | s1c(c(cc1)C)CN | | InChi: | InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3 | | Definition date: | 2011-06-27 | | Last modified: | 2012-01-13 | | Identifier: | 1-(3-methylthiophen-2-yl)methanamine |
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 | | 02W | | Name: | 2-(2-methyl-1H-benzimidazol-1-yl)ethanamine | | Formula: | C10 H13 N3 | | SMILES: | n2c1ccccc1n(c2C)CCN | | InChi: | InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3 | | Definition date: | 2011-07-12 | | Last modified: | 2012-01-13 | | Identifier: | 2-(2-methyl-1H-benzimidazol-1-yl)ethanamine |
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 | | 02X | | Name: | (2S)-2-(propan-2-yl)butanedioic acid | | Formula: | C7 H12 O4 | | SMILES: | O=C(O)C(CC(=O)O)C(C)C | | InChi: | InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1 | | Definition date: | 2011-07-12 | | Last modified: | 2012-01-13 | | Identifier: | (2S)-2-(propan-2-yl)butanedioic acid |
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 | | 03J | | Name: | 3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid | | Formula: | C19 H16 O2 S | | SMILES: | O=C(O)CCc3ccc(c2scc(c1ccccc1)c2)cc3 | | InChi: | InChI=1S/C19H16O2S/c20-19(21)11-8-14-6-9-16(10-7-14)18-12-17(13-22-18)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,20,21) | | Definition date: | 2011-09-29 | | Last modified: | 2012-01-13 | | Identifier: | 3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid |
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 | | FV0 | | Name: | (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol | | Formula: | C14 H24 N2 O | | SMILES: | OC(C(N)Cc1ccccc1)CNCC(C)C | | InChi: | InChI=1S/C14H24N2O/c1-11(2)9-16-10-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13-,14+/m0/s1 | | Definition date: | 2011-06-06 | | Last modified: | 2012-01-13 | | Identifier: | (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol |
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 | | FY0 | | Name: | (2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid | | Formula: | C12 H16 N O7 P | | SMILES: | CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O | | InChi: | InChI=1S/C12H16NO7P/c1-13-11(14)7-9(12(15)16)6-8-2-4-10(5-3-8)20-21(17,18)19/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t9-/m0/s1 | | Definition date: | 2010-02-04 | | Last modified: | 2012-01-13 | | Identifier: | (2S)-4-(methylamino)-4-oxo-2-[(4-phosphonooxyphenyl)methyl]butanoic acid |
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 | | 2A0 | | Name: | N-[(2S)-2-aminohexyl]-L-norleucine | | Formula: | C12 H26 N2 O2 | | SMILES: | O=C(O)C(NCC(N)CCCC)CCCC | | InChi: | InChI=1S/C12H26N2O2/c1-3-5-7-10(13)9-14-11(12(15)16)8-6-4-2/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t10-,11-/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2012-01-13 | | Identifier: | N-[(2S)-2-aminohexyl]-L-norleucine |
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 | | GKL | | Name: | N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine | | Formula: | C12 H26 N2 O3 | | SMILES: | O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C | | InChi: | InChI=1S/C12H26N2O3/c1-7(2)5-9(13)10(15)6-14-11(8(3)4)12(16)17/h7-11,14-15H,5-6,13H2,1-4H3,(H,16,17)/t9-,10-,11-/m0/s1 | | Definition date: | 2010-09-28 | | Last modified: | 2012-01-13 | | Identifier: | N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine |
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 | | 22P | | Name: | (2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid | | Formula: | C11 H15 N O3 | | SMILES: | O=C(O)C(O)(CCc1ccccc1)CN | | InChi: | InChI=1S/C11H15NO3/c12-8-11(15,10(13)14)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8,12H2,(H,13,14)/t11-/m1/s1 | | Definition date: | 2010-04-13 | | Last modified: | 2012-01-13 | | Identifier: | (2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid |
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 | | IHM | | Name: | N-(3-{1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide | | Formula: | C29 H28 F2 N4 O4 | | SMILES: | FC(F)Oc2ccc(cc2OCC1CC1)C(n3nc(cc3)c4cccc(NC(=O)C)c4)Cc5cc[n+]([O-])cc5 | | InChi: | InChI=1S/C29H28F2N4O4/c1-19(36)32-24-4-2-3-22(16-24)25-11-14-35(33-25)26(15-20-9-12-34(37)13-10-20)23-7-8-27(39-29(30)31)28(17-23)38-18-21-5-6-21/h2-4,7-14,16-17,21,26,29H,5-6,15,18H2,1H3,(H,32,36)/t26-/m0/s1 | | Definition date: | 2011-12-28 | | Last modified: | 2012-01-13 | | Identifier: | N-(3-{1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide |
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 | | IRA | | Name: | (5-bromo-2-methoxyphenyl)acetic acid | | Formula: | C9 H9 Br O3 | | SMILES: | Brc1cc(c(OC)cc1)CC(=O)O | | InChi: | InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) | | Definition date: | 2010-10-09 | | Last modified: | 2012-01-13 | | Identifier: | (5-bromo-2-methoxyphenyl)acetic acid |
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 | | IRS | | Name: | 2-methylprop-2-en-1-amine | | Formula: | C4 H9 N | | SMILES: | C=C(/C)CN | | InChi: | InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3 | | Definition date: | 2010-11-10 | | Last modified: | 2012-01-13 | | Identifier: | 2-methylprop-2-en-1-amine |
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 | | X97 | | Name: | 3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione | | Formula: | C28 H32 N4 O4 | | SMILES: | O=C(N1CCCC1)C5N(C(=O)CCCN4C(=O)C(c2ccccc2)(c3ccccc3)NC4=O)CCC5 | | InChi: | InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1 | | Definition date: | 2008-10-16 | | Last modified: | 2012-01-11 | | Identifier: | 3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione |
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 | | X98 | | Name: | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | | Formula: | C26 H28 N4 O3 | | SMILES: | O=C(N1CCCC1)C5N(C(=O)CCN3c4ccccc4N=C(c2ccccc2)C3=O)CCC5 | | InChi: | InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1 | | Definition date: | 2008-10-15 | | Last modified: | 2012-01-11 | | Identifier: | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one |
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 | | 0P0 | | Name: | N-[(4R)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine | | Formula: | C10 H18 N3 O6 S | | SMILES: | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS | | InChi: | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1 | | Synonyms: | glutathione | | Definition date: | 2008-11-13 | | Last modified: | 2012-01-11 | | Identifier: | N-[(4S)-4-ammonio-4-carboxybutanoyl]-L-cysteinylglycine |
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 | | VAS | | Name: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid | | Formula: | C15 H29 N O3 | | SMILES: | O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1 | | InChi: | InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2012-01-11 | | Identifier: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid |
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 | | PSS | | Name: | (2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid | | Formula: | C17 H24 N2 O3 | | SMILES: | O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC | | InChi: | InChI=1S/C17H24N2O3/c1-2-3-9-15(17(21)22)19-11-10-18-14(16(19)20)12-13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3,(H,21,22)/t14-,15+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2012-01-11 | | Identifier: | (2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid |
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 | | TFN | | Name: | N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide | | Formula: | C24 H33 N5 O5 S | | SMILES: | O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)COC(C)(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C24H33N5O5S/c1-24(2,3)34-15-20(29-35(32,33)16-18-7-5-4-6-8-18)23(31)28-14-21(30)27-13-17-9-11-19(12-10-17)22(25)26/h4-12,20,29H,13-16H2,1-3H3,(H3,25,26)(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2010-11-18 | | Last modified: | 2012-01-11 | | Identifier: | N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide |
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 | | 19U | | Name: | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide | | Formula: | C16 H22 Cl N3 O2 | | SMILES: | O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC)CCC2 | | InChi: | InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1 | | Definition date: | 2008-01-17 | | Last modified: | 2012-01-11 | | Identifier: | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide |
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