 | | 01C | | Name: | (4S)-4-amino-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one | | Formula: | C13 H11 F5 N2 O | | SMILES: | FC(F)(F)C(F)(F)C(=O)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C13H11F5N2O/c14-12(15,13(16,17)18)11(21)9(19)5-7-6-20-10-4-2-1-3-8(7)10/h1-4,6,9,20H,5,19H2/t9-/m0/s1 | | Definition date: | 2011-02-22 | | Last modified: | 2012-01-13 | | Identifier: | (4S)-4-amino-1,1,1,2,2-pentafluoro-5-(1H-indol-3-yl)pentan-3-one |
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 | | 01J | | Name: | N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine | | Formula: | C20 H24 N2 O4 | | SMILES: | O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1 | | Definition date: | 2011-02-22 | | Last modified: | 2012-01-13 | | Identifier: | N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine |
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 | | 01R | | Name: | N-(pyridin-4-yl)ethane-1,2-diamine | | Formula: | C7 H11 N3 | | SMILES: | n1ccc(NCCN)cc1 | | InChi: | InChI=1S/C7H11N3/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2,(H,9,10) | | Definition date: | 2011-02-24 | | Last modified: | 2012-01-13 | | Identifier: | N-(pyridin-4-yl)ethane-1,2-diamine |
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 | | 01U | | Name: | 1,3-benzothiazole-2,6-diamine | | Formula: | C7 H7 N3 S | | SMILES: | n1c2ccc(cc2sc1N)N | | InChi: | InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10) | | Definition date: | 2011-02-24 | | Last modified: | 2012-01-13 | | Identifier: | 1,3-benzothiazole-2,6-diamine |
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 | | 01V | | Name: | 1-(2,5-dichlorophenyl)methanamine | | Formula: | C7 H7 Cl2 N | | SMILES: | Clc1ccc(Cl)cc1CN | | InChi: | InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 | | Definition date: | 2011-02-24 | | Last modified: | 2012-01-13 | | Identifier: | 1-(2,5-dichlorophenyl)methanamine |
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 | | 01X | | Name: | [2-(aminomethyl)-4-chlorophenoxy]acetic acid | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(c(OCC(=O)O)cc1)CN | | InChi: | InChI=1S/C9H10ClNO3/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3H,4-5,11H2,(H,12,13) | | Definition date: | 2011-02-24 | | Last modified: | 2012-01-13 | | Identifier: | [2-(aminomethyl)-4-chlorophenoxy]acetic acid |
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 | | 025 | | Name: | 3-(trifluoromethyl)benzenesulfonic acid | | Formula: | C7 H5 F3 O3 S | | SMILES: | FC(F)(F)c1cc(ccc1)S(=O)(=O)O | | InChi: | InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13) | | Definition date: | 2011-02-25 | | Last modified: | 2012-01-13 | | Identifier: | 3-(trifluoromethyl)benzenesulfonic acid |
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 | | 02B | | Name: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid | | Formula: | C10 H14 O4 S | | SMILES: | O=S(=O)(O)c1c(c(c(OC)cc1C)C)C | | InChi: | InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13) | | Definition date: | 2011-02-25 | | Last modified: | 2012-01-13 | | Identifier: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid |
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 | | 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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 | | 508 | | Name: | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone | | Formula: | C31 H34 N2 O | | SMILES: | O=C(N3C(c1ccccc1)CC(c2ccccc2)CC3)C6C5(c4ccccc4CCC5)CNC6 | | InChi: | InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1 | | Definition date: | 2011-11-04 | | Last modified: | 2012-01-13 | | Identifier: | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone |
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 | | 6CF | | Name: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine | | Formula: | C10 H16 F2 N3 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O | | InChi: | InChI=1S/C10H16F2N3O12P3/c11-10(12,29(20,21)27-30(22,23)24)28(18,19)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,18,19)(H,20,21)(H2,13,14,17)(H2,22,23,24)/t5-,6+,8+/m0/s1 | | Definition date: | 2011-04-19 | | Last modified: | 2012-01-13 | | Identifier: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine |
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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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 | | 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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 | | 9AL | | Name: | (2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide | | Formula: | C13 H20 N2 O2 | | SMILES: | O=C(NC(c1ccccc1)CC)C(O)C(N)C | | InChi: | InChI=1S/C13H20N2O2/c1-3-11(10-7-5-4-6-8-10)15-13(17)12(16)9(2)14/h4-9,11-12,16H,3,14H2,1-2H3,(H,15,17)/t9-,11+,12-/m0/s1 | | Definition date: | 2010-09-24 | | Last modified: | 2012-01-13 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-N-[(1R)-1-phenylpropyl]butanamide |
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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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 | | 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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