 | | 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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 | | K0L | | Name: | (4-amino-2,6-dimethylphenoxy)acetic acid | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)COc1c(cc(cc1C)N)C | | InChi: | InChI=1S/C10H13NO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5,11H2,1-2H3,(H,12,13) | | Definition date: | 2010-11-10 | | Last modified: | 2012-01-13 | | Identifier: | (4-amino-2,6-dimethylphenoxy)acetic acid |
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 | | MI0 | | Name: | (3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide | | Formula: | C12 H22 F2 N2 O2 | | SMILES: | O=C(NC)C(F)(F)C(O)C(N)CC1CCCCC1 | | InChi: | InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1 | | Definition date: | 2010-11-09 | | Last modified: | 2012-01-13 | | Identifier: | (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methylpentanamide (non-preferred name) |
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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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 | | REI | | Name: | Tricarbonyl (aqua) (imidazole) rhenium(I) | | Formula: | C6 H6 N2 O4 Re | | SMILES: | O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1 | | InChi: | InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1 | | Definition date: | 2011-02-03 | | Last modified: | 2012-01-13 | | Identifier: | 1H-imidazol-3-yl-$l^{3}-oxidanyl-tris($l^{3}-oxidanylidynemethyl)rhenium(1+) |
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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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 | | D0M | | Name: | pentan-3-amine | | Formula: | C5 H13 N | | SMILES: | NC(CC)CC | | InChi: | InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3 | | Definition date: | 2010-11-03 | | Last modified: | 2012-01-13 | | Identifier: | pentan-3-amine |
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 | | 0ML | | Name: | (2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide | | Formula: | C11 H15 I N2 O2 | | SMILES: | Ic1ccc(cc1)CNC(=O)C(O)C(N)C | | InChi: | InChI=1S/C11H15IN2O2/c1-7(13)10(15)11(16)14-6-8-2-4-9(12)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)/t7-,10-/m0/s1 | | Definition date: | 2010-11-02 | | Last modified: | 2012-01-13 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-N-(4-iodobenzyl)butanamide |
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 | | 0TH | | Name: | N-(propylsulfonyl)-D-threonine | | Formula: | C7 H15 N O5 S | | SMILES: | O=S(=O)(NC(C(=O)O)C(O)C)CCC | | InChi: | InChI=1S/C7H15NO5S/c1-3-4-14(12,13)8-6(5(2)9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1 | | Definition date: | 2011-03-23 | | Last modified: | 2012-01-13 | | Identifier: | N-(propylsulfonyl)-D-threonine |
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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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 | | 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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 | | 2PS | | Name: | phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate | | Formula: | C17 H21 N O3 S | | SMILES: | O=S(=O)(Oc1ccccc1)CCC(N)CCc2ccccc2 | | InChi: | InChI=1S/C17H21NO3S/c18-16(12-11-15-7-3-1-4-8-15)13-14-22(19,20)21-17-9-5-2-6-10-17/h1-10,16H,11-14,18H2/t16-/m0/s1 | | Definition date: | 2011-03-23 | | Last modified: | 2012-01-13 | | Identifier: | phenyl (3S)-3-amino-5-phenylpentane-1-sulfonate |
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 | | 2UA | | Name: | (3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one | | Formula: | C12 H20 N2 O2 | | SMILES: | O=C1NCCC1CC(N)CCC(=O)C2CC2 | | InChi: | InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1 | | Definition date: | 2010-11-10 | | Last modified: | 2012-01-13 | | Identifier: | (3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one |
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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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 | | 44A | | Name: | 9-beta-D-ribofuranuronosyl-9H-purin-6-amine | | Formula: | C10 H11 N5 O5 | | SMILES: | O=C(O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1 | | Definition date: | 2010-05-25 | | Last modified: | 2012-01-13 | | Identifier: | 9-(beta-D-ribofuranuronosyl)-9H-purin-6-amine |
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 | | 00H | | Name: | 3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid | | Formula: | C11 H16 N O4 P | | SMILES: | O=C(O)CCP(=O)(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1 | | Definition date: | 2010-08-21 | | Last modified: | 2012-01-13 | | Identifier: | 3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid |
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 | | 00O | | Name: | beta-phenyl-D-phenylalanine | | Formula: | C15 H15 N O2 | | SMILES: | O=C(O)C(N)C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1 | | Definition date: | 2010-11-12 | | Last modified: | 2012-01-13 | | Identifier: | beta-phenyl-D-phenylalanine |
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 | | 00T | | Name: | (4-chlorobenzene-1,2-diyl)dimethanamine | | Formula: | C8 H11 Cl N2 | | SMILES: | Clc1cc(c(cc1)CN)CN | | InChi: | InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2 | | Definition date: | 2010-11-12 | | Last modified: | 2012-01-13 | | Identifier: | (4-chlorobenzene-1,2-diyl)dimethanamine |
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 | | 00U | | Name: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid | | Formula: | C15 H19 N3 O3 | | SMILES: | O=C(O)C2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 | | InChi: | InChI=1S/C15H19N3O3/c16-15(10-11-4-2-1-3-5-11)7-9-17-8-6-12(13(19)20)18(17)14(15)21/h1-5,12H,6-10,16H2,(H,19,20)/t12-,15+/m0/s1 | | Definition date: | 2010-11-12 | | Last modified: | 2012-01-13 | | Identifier: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid |
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 | | 00X | | Name: | (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol | | Formula: | C9 H11 N O | | SMILES: | OC2Cc1ccccc1C2N | | InChi: | InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1 | | Definition date: | 2010-07-16 | | Last modified: | 2012-01-13 | | Identifier: | (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol |
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 | | 013 | | Name: | 1,3-thiazol-5-ylmethyl hydrogen carbonate | | Formula: | C5 H5 N O3 S | | SMILES: | O=C(O)OCc1scnc1 | | InChi: | InChI=1S/C5H5NO3S/c7-5(8)9-2-4-1-6-3-10-4/h1,3H,2H2,(H,7,8) | | Definition date: | 2010-12-10 | | Last modified: | 2012-01-13 | | Identifier: | 1,3-thiazol-5-ylmethyl hydrogen carbonate |
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 | | 015 | | Name: | (2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol | | Formula: | C18 H24 N2 O | | SMILES: | OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2 | | InChi: | InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1 | | Definition date: | 2010-12-10 | | Last modified: | 2012-01-13 | | Identifier: | (2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol |
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