 | | 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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 | | PKC | | Name: | (2R,3S)-1,3-diamino-4-phenylbutan-2-ol | | Formula: | C10 H16 N2 O | | SMILES: | OC(C(N)Cc1ccccc1)CN | | InChi: | InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1 | | Definition date: | 2008-11-07 | | Last modified: | 2012-01-13 | | Identifier: | (2R,3S)-1,3-diamino-4-phenylbutan-2-ol |
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 | | Z0A | | Name: | (3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C1NCCC1CC(N)CCC(=O)C | | InChi: | InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1 | | Definition date: | 2010-11-17 | | Last modified: | 2012-01-13 | | Identifier: | (3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one |
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 | | Q00 | | Name: | N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine | | Formula: | C19 H24 N2 O2 | | SMILES: | O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1 | | Definition date: | 2010-11-17 | | Last modified: | 2012-01-13 | | Identifier: | N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine |
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 | | Q24 | | Name: | quinazoline-2,4-diamine | | Formula: | C8 H8 N4 | | SMILES: | n2c1c(cccc1)c(nc2N)N | | InChi: | InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12) | | Definition date: | 2011-04-07 | | Last modified: | 2012-01-13 | | Identifier: | quinazoline-2,4-diamine |
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 | | SZ0 | | Name: | (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid | | Formula: | C21 H27 N3 O5 S | | SMILES: | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC(C2)S(=O)(=O)c3ccncc3 | | InChi: | InChI=1S/C21H27N3O5S/c22-18(12-15-4-2-1-3-5-15)20(25)14-24-11-8-17(13-19(24)21(26)27)30(28,29)16-6-9-23-10-7-16/h1-7,9-10,17-20,25H,8,11-14,22H2,(H,26,27)/t17-,18+,19+,20-/m1/s1 | | Definition date: | 2010-11-03 | | Last modified: | 2012-01-13 | | Identifier: | (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid |
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 | | T00 | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine | | Formula: | C19 H24 N2 O3 | | SMILES: | O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18+/m0/s1 | | Definition date: | 2010-11-17 | | Last modified: | 2012-01-13 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine |
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 | | ZDV | | Name: | 1-(3-fluorophenyl)methanamine | | Formula: | C7 H8 F N | | SMILES: | Fc1cc(ccc1)CN | | InChi: | InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 | | Definition date: | 2010-11-15 | | Last modified: | 2012-01-13 | | Identifier: | 1-(3-fluorophenyl)methanamine |
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 | | TUC | | Name: | (isoquinolin-5-yloxy)acetic acid | | Formula: | C11 H9 N O3 | | SMILES: | O=C(O)COc1cccc2c1ccnc2 | | InChi: | InChI=1S/C11H9NO3/c13-11(14)7-15-10-3-1-2-8-6-12-5-4-9(8)10/h1-6H,7H2,(H,13,14) | | Definition date: | 2010-11-11 | | Last modified: | 2012-01-13 | | Identifier: | (isoquinolin-5-yloxy)acetic acid |
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 | | OKJ | | Name: | (2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal | | Formula: | C10 H13 N O3 | | SMILES: | O=CC(O)C(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H13NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,6,9-10,13-14H,5,11H2/t9-,10+/m0/s1 | | Definition date: | 2011-04-19 | | Last modified: | 2012-01-13 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal |
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 | | R35 | | Name: | (2R)-2-tert-butylbutanedioic acid | | Formula: | C8 H14 O4 | | SMILES: | O=C(O)C(CC(=O)O)C(C)(C)C | | InChi: | InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1 | | Definition date: | 2010-11-03 | | Last modified: | 2012-01-13 | | Identifier: | (2R)-2-tert-butylbutanedioic acid |
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 | | RH0 | | Name: | 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid | | Formula: | C12 H17 N O3 S | | SMILES: | O=C(O)CC(N)C(O)CSCc1ccccc1 | | InChi: | InChI=1S/C12H17NO3S/c13-10(6-12(15)16)11(14)8-17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11+/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2012-01-13 | | Identifier: | 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid |
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