 | | 30X | | Name: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide | | Formula: | C15 H15 F6 N3 O | | SMILES: | O=C(N(C)C)C(N(c1cc(c(C#N)cc1)C(F)(F)F)CC(F)(F)F)C | | InChi: | InChI=1S/C15H15F6N3O/c1-9(13(25)23(2)3)24(8-14(16,17)18)11-5-4-10(7-22)12(6-11)15(19,20)21/h4-6,9H,8H2,1-3H3/t9-/m0/s1 | | Definition date: | 2009-02-13 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide |
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 | | 314 | | Name: | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Formula: | C36 H45 F2 N3 O3 | | SMILES: | O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCCC(Cc3ccccc3)C4 | | InChi: | InChI=1S/C36H45F2N3O3/c1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25/h6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43)/t26-,32-,33+,34-/m1/s1 | | Definition date: | 2008-04-08 | | Last modified: | 2011-06-04 | | Identifier: | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | 316 | | Name: | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Formula: | C35 H42 F2 N4 O4 | | SMILES: | O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CCN4 | | InChi: | InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1 | | Definition date: | 2008-04-08 | | Last modified: | 2011-06-04 | | Identifier: | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | 318 | | Name: | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Formula: | C34 H40 F2 N4 O4 | | SMILES: | O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CN4)C | | InChi: | InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1 | | Definition date: | 2008-04-08 | | Last modified: | 2011-06-04 | | Identifier: | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | 324 | | Name: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | | Formula: | C17 H14 Cl F2 N3 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(Cl)cnc2nc3)CCC | | InChi: | InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) | | Definition date: | 2008-02-11 | | Last modified: | 2011-06-04 | | Identifier: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide |
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 | | FP4 | | Name: | 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol | | Formula: | C21 H18 N6 O2 | | SMILES: | n5ccc1c(oc(c1Nc3cccc2nnc(c23)CCCO)c4ncccn4)c5 | | InChi: | InChI=1S/C21H18N6O2/c28-11-2-6-16-18-14(4-1-5-15(18)26-27-16)25-19-13-7-10-22-12-17(13)29-20(19)21-23-8-3-9-24-21/h1,3-5,7-10,12,25,28H,2,6,11H2,(H,26,27) | | Definition date: | 2010-12-01 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol |
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 | | FPE | | Name: | 3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID | | Formula: | C3 H6 F O6 P | | SMILES: | O=P(O)(O)OC(C(=O)O)CF | | InChi: | InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | | Definition date: | 2003-05-21 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-fluoro-2-(phosphonooxy)propanoic acid |
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 | | 335 | | Name: | [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID | | Formula: | C29 H25 F4 N3 O6 P2 | | SMILES: | FC(F)(c1ccc(cc1)CC(c2ccccc2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O | | InChi: | InChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42) | | Definition date: | 2003-08-18 | | Last modified: | 2011-06-04 | | Identifier: | {[2-(1H-benzotriazol-1-yl)-2-phenylpropane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid) |
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 | | 33Y | | Name: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | | Formula: | C25 H24 F2 N2 O3 | | SMILES: | Fc1ccc(cc1F)C(=O)N4C=C(c3c(c2ccccc2n3)C(C4)(C)C)C(=O)OC(C)C | | InChi: | InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3 | | Definition date: | 2009-01-06 | | Last modified: | 2011-06-04 | | Identifier: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
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 | | 33Z | | Name: | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | | Formula: | C31 H38 N5 O7 P | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(C)C)P(=O)(O)CC(c2cc(NC(=[N@H])N)ccc2)C(=O)O)Cc3ccccc3 | | InChi: | InChI=1S/C31H38N5O7P/c1-20(2)28(44(41,42)19-25(29(38)39)23-14-9-15-24(17-23)34-30(32)33)36-27(37)26(16-21-10-5-3-6-11-21)35-31(40)43-18-22-12-7-4-8-13-22/h3-15,17,20,25-26,28H,16,18-19H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)(H,41,42)(H4,32,33,34)/t25-,26-,28+/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]-2-(3-carbamimidamidophenyl)propanoic acid |
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 | | 343 | | Name: | (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID | | Formula: | C30 H36 N5 O9 P | | SMILES: | O=P(O)(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)C(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccc(O)cc3)C(C)C | | InChi: | InChI=1S/C30H36N5O9P/c1-18(2)27(45(41,42)44-25(28(38)39)21-9-6-10-22(16-21)33-29(31)32)35-26(37)24(15-19-11-13-23(36)14-12-19)34-30(40)43-17-20-7-4-3-5-8-20/h3-14,16,18,24-25,27,36H,15,17H2,1-2H3,(H,34,40)(H,35,37)(H,38,39)(H,41,42)(H4,31,32,33)/t24-,25-,27+/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-{[(S)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}(3-carbamimidamidophenyl)ethanoic acid |
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 | | 348 | | Name: | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | | Formula: | C27 H34 N4 O2 | | SMILES: | O=C3N(C(C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)C(C)C)Cc5ccc(OC)cc5 | | InChi: | InChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21-,22-,23-,24+,25-/m0/s1 | | Definition date: | 2006-02-17 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1R,3aS,4R,8aS,8bR)-2-(4-methoxybenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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 | | FRE | | Name: | FERULOYL COENZYME A | | Formula: | C31 H44 N7 O20 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4cc(O)c(O)c(OC)c4 | | InChi: | InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1 | | Definition date: | 2004-03-30 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate (non-preferred name) |
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 | | FRT | | Name: | N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | | Formula: | C20 H26 N6 O3 S | | SMILES: | O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C | | InChi: | InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25) | | Definition date: | 2008-08-08 | | Last modified: | 2011-06-04 | | Identifier: | N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide |
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 | | 352 | | Name: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one | | Formula: | C15 H19 F N2 O2 S | | SMILES: | O=C1N=C(SC1(C)C(O)(C)C)NC(c2ccc(F)cc2)C | | InChi: | InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1 | | Definition date: | 2008-10-24 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one |
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 | | FTH | | Name: | 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE | | Formula: | C31 H28 N6 O | | SMILES: | N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)C(NCc3ccc(C#N)cc3)Cc4cncn4C)CC5 | | InChi: | InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m0/s1 | | Definition date: | 2002-12-13 | | Last modified: | 2011-06-04 | | Identifier: | 1-[N-(4-cyanobenzyl)-3-methyl-L-histidyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrile |
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 | | FVF | | Name: | O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID | | Formula: | C30 H35 N2 O8 P | | SMILES: | O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3 | | InChi: | InChI=1S/C30H35N2O8P/c1-21(2)28(41(37,38)40-26(29(34)35)19-23-14-8-4-9-15-23)32-27(33)25(18-22-12-6-3-7-13-22)31-30(36)39-20-24-16-10-5-11-17-24/h3-17,21,25-26,28H,18-20H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)(H,37,38)/t25-,26-,28+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-{[(R)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
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 | | FXI | | Name: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide | | Formula: | C28 H29 Cl F N3 O4 S | | SMILES: | O=C(Nc2ccc(c1ccccc1S(=O)(=O)C)cc2F)C4(N(C(=O)Nc3ccc(Cl)cc3)CCCC)CC4 | | InChi: | InChI=1S/C28H29ClFN3O4S/c1-3-4-17-33(27(35)31-21-12-10-20(29)11-13-21)28(15-16-28)26(34)32-24-14-9-19(18-23(24)30)22-7-5-6-8-25(22)38(2,36)37/h5-14,18H,3-4,15-17H2,1-2H3,(H,31,35)(H,32,34) | | Definition date: | 2007-08-03 | | Last modified: | 2011-06-04 | | Identifier: | 1-{butyl[(4-chlorophenyl)carbamoyl]amino}-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide |
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 | | FYN | | Name: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE | | Formula: | C22 H36 N7 O17 P3 S | | SMILES: | O=CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1 | | Definition date: | 2007-02-26 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate (non-preferred name) |
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 | | G15 | | Name: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE | | Formula: | C17 H21 Cl N6 O5 S2 | | SMILES: | Clc4sc(c1nc(nn1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4 | | InChi: | InChI=1S/C17H21ClN6O5S2/c1-10(15(25)23-6-8-29-9-7-23)24-5-4-11(16(24)26)22-31(27,28)17-19-14(20-21-17)12-2-3-13(18)30-12/h2-3,10-11,22H,4-9H2,1H3,(H,19,20,21)/t10-,11-/m0/s1 | | Definition date: | 2006-11-02 | | Last modified: | 2011-06-04 | | Identifier: | 5-(5-chlorothiophen-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1H-1,2,4-triazole-3-sulfonamide |
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 | | G1L | | Name: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | | Formula: | C12 H13 Cl F3 N O | | SMILES: | FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1 | | InChi: | InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18) | | Definition date: | 2006-09-01 | | Last modified: | 2011-06-04 | | Identifier: | 3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide |
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 | | 1TP | | Name: | 1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-[(1S)-1-CARBOXY-1-HYDROXYETHYL]-4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-DIPHOSPHOX-1-EN-2-IUM 3-OXIDE | | Formula: | C15 H26 N4 O10 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC2SC(N(Cc1cnc(nc1N)C)C2C)C(O)(C(=O)O)C | | InChi: | InChI=1S/C15H26N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,8,11,13,22H,4-5,7H2,1-3H3,(H,20,21)(H,26,27)(H2,16,17,18)(H2,23,24,25)/t8-,11-,13+,15+/m0/s1 | | Definition date: | 2005-10-11 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[(2R,4S,5S)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl]-2-hydroxypropanoic acid |
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 | | 1U4 | | Name: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine | | Formula: | C24 H32 N3 O7 P | | SMILES: | O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C | | InChi: | InChI=1S/C24H32N3O7P/c1-17(2)13-21(23(29)30)26-22(28)20(14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1 | | Definition date: | 2009-01-27 | | Last modified: | 2011-06-04 | | Identifier: | N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-phenylalanyl-L-leucine |
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 | | G2M | | Name: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine | | Formula: | C13 H22 N5 O12 P3 | | SMILES: | O=P(O)(O)C(C)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C13H22N5O12P3/c1-13(2,31(21,22)23)32(24,25)30-33(26,27)28-4-7-6(19)3-8(29-7)18-5-15-9-10(18)16-12(14)17-11(9)20/h5-8,19H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t6-,7+,8+/m0/s1 | | Definition date: | 2009-09-14 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(2-phosphonopropan-2-yl)phosphoryl]oxy}phosphoryl]guanosine |
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 | | LGG | | Name: | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE | | Formula: | C34 H51 N7 O11 | | SMILES: | O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O | | InChi: | InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1 | | Definition date: | 2006-10-13 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide |
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