 | | C5C | | Name: | S-CYCLOPENTYL THIOCYSTEINE | | Formula: | C8 H15 N O2 S2 | | SMILES: | O=C(O)C(N)CSSC1CCCC1 | | InChi: | InChI=1S/C8H15NO2S2/c9-7(8(10)11)5-12-13-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(cyclopentyldisulfanyl)-L-alanine |
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 | | C5D | | Name: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | | Formula: | C24 H32 F6 O3 | | SMILES: | FC(F)(F)C(O)(C#CCCC2(C)CCC(/C=C/C=C1CC(O)CC(O)C1)C2(C)C)C(F)(F)F | | InChi: | InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1 | | Definition date: | 2008-07-14 | | Last modified: | 2011-06-04 | | Identifier: | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol |
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 | | C5G | | Name: | [CYTIDINE-5'-PHOSPHATE]-BETA-GLUCOSYL-PHOSPHORIC ACID ESTER | | Formula: | C15 H25 N3 O16 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O | | InChi: | InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | | Definition date: | 2004-07-26 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | C5P | | Name: | CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-cytidylic acid |
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 | | C62 | | Name: | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | | Formula: | C14 H10 N2 O5 S2 | | SMILES: | O=C1C(SC(=O)N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7- | | Definition date: | 2007-04-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide |
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 | | C64 | | Name: | N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide | | Formula: | C18 H13 Br N4 O S | | SMILES: | Brc1ccc(NC(=O)Cn2c3ccccc3nc2c4sccn4)cc1 | | InChi: | InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-16(24)11-23-15-4-2-1-3-14(15)22-17(23)18-20-9-10-25-18/h1-10H,11H2,(H,21,24) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)benzimidazol-1-yl]ethanamide |
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 | | C6B | | Name: | [(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1 | | Definition date: | 2008-11-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)pyrimidin-2(1H)-one |
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 | | C6C | | Name: | S-CYCLOHEXYL THIOCYSTEINE | | Formula: | C9 H17 N O2 S2 | | SMILES: | O=C(O)C(N)CSSC1CCCCC1 | | InChi: | InChI=1S/C9H17NO2S2/c10-8(9(11)12)6-13-14-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(cyclohexyldisulfanyl)-L-alanine |
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 | | C6L | | Name: | N-hexanoyl-L-homoserine | | Formula: | C10 H19 N O4 | | SMILES: | O=C(O)C(NC(=O)CCCCC)CCO | | InChi: | InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2008-06-18 | | Last modified: | 2011-06-04 | | Identifier: | N-hexanoyl-L-homoserine |
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 | | C7C | | Name: | 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate | | Formula: | C9 H4 Cl N2 O2 S2 | | SMILES: | O=C([O-])c2nnsc2Sc1ccc(Cl)cc1 | | InChi: | InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)/p-1 | | Definition date: | 2008-10-10 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate |
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 | | C80 | | Name: | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE | | Formula: | C30 H41 N3 O4 | | SMILES: | O=C(NCCCC)C(C)CC(O)C(N)CC(C)COC(=O)c2c1ccccc1n(c2)Cc3ccccc3 | | InChi: | InChI=1S/C30H41N3O4/c1-4-5-15-32-29(35)22(3)17-28(34)26(31)16-21(2)20-37-30(36)25-19-33(18-23-11-7-6-8-12-23)27-14-10-9-13-24(25)27/h6-14,19,21-22,26,28,34H,4-5,15-18,20,31H2,1-3H3,(H,32,35)/t21-,22+,26-,28+/m0/s1 | | Definition date: | 2007-05-21 | | Last modified: | 2011-06-04 | | Identifier: | (2S,4S,5R,7R)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1H-indole-3-carboxylate |
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 | | C85 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | | Formula: | C14 H11 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7- | | Definition date: | 2007-04-27 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide |
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 | | C8C | | Name: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one | | Formula: | C14 H14 N4 O | | SMILES: | O=C1C=C(N=C(N)N1)CCc2ccc3c(c2)ncc3 | | InChi: | InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19) | | Definition date: | 2007-08-30 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one |
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 | | C8D | | Name: | N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE | | Formula: | C29 H40 B N4 O8 | | SMILES: | O=C(N3C(C(=O)NC(B([O-])O)CCO)CC(Oc1nccc2c1cccc2)C3)C(NC(=O)OC4CCCC4)C(C)(C)C | | InChi: | InChI=1S/C29H40BN4O8/c1-29(2,3)24(33-28(38)42-19-9-5-6-10-19)27(37)34-17-20(16-22(34)25(36)32-23(13-15-35)30(39)40)41-26-21-11-7-4-8-18(21)12-14-31-26/h4,7-8,11-12,14,19-20,22-24,35,39H,5-6,9-10,13,15-17H2,1-3H3,(H,32,36)(H,33,38)/q-1/t20-,22+,23+,24-/m1/s1 | | Definition date: | 2010-04-23 | | Last modified: | 2011-06-04 | | Identifier: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-{(1R)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-L-prolinamide |
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 | | C94 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | | Formula: | C15 H10 F3 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(c(c2)C(F)(F)F)S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6- | | Definition date: | 2007-04-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzenesulfonamide |
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 | | C95 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID | | Formula: | C15 H10 N2 O4 S | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(C(=O)O)cc2)cc3 | | InChi: | InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7- | | Definition date: | 2007-04-27 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid |
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 | | C9A | | Name: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate | | Formula: | C30 H29 Cl F N3 O5 S | | SMILES: | O=S(=O)(c1ccc(cc1)CN4c2cc(c(F)cc2C(=O)C(C(=O)OCc3ccc(Cl)cc3)=C4)N5CCN(C)CC5)C | | InChi: | InChI=1S/C30H29ClFN3O5S/c1-33-11-13-34(14-12-33)28-16-27-24(15-26(28)32)29(36)25(30(37)40-19-21-3-7-22(31)8-4-21)18-35(27)17-20-5-9-23(10-6-20)41(2,38)39/h3-10,15-16,18H,11-14,17,19H2,1-2H3 | | Definition date: | 2010-11-04 | | Last modified: | 2011-06-04 | | Identifier: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate |
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 | | CA1 | | Name: | ETHYL PROPIONATE | | Formula: | C5 H10 O2 | | SMILES: | O=C(OCC)CC | | InChi: | InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 | | Definition date: | 2005-09-14 | | Last modified: | 2011-06-04 | | Identifier: | ethyl propanoate |
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 | | CA4 | | Name: | CYPROTERONE ACETATE | | Formula: | C24 H29 Cl O4 | | SMILES: | O=C4C=C3C(Cl)=CC1C(CCC2(C(OC(=O)C)(C(=O)C)CCC12)C)C3(C)C5CC45 | | InChi: | InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 | | Definition date: | 2007-03-21 | | Last modified: | 2011-06-04 | | Identifier: | (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate |
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 | | CAB | | Name: | 4,4-dihydroxy-5-oxo-L-norvaline | | Formula: | C5 H9 N O5 | | SMILES: | O=CC(O)(O)CC(C(=O)O)N | | InChi: | InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4,4-dihydroxy-5-oxo-L-norvaline |
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 | | CAG | | Name: | GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] | | Formula: | C18 H23 N6 O16 P3 | | SMILES: | [O-][N+](=O)c1ccccc1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)C | | InChi: | InChI=1S/C18H23N6O16P3/c1-8(9-4-2-3-5-10(9)24(28)29)38-42(32,33)40-43(34,35)39-41(30,31)36-6-11-13(25)14(26)17(37-11)23-7-20-12-15(23)21-18(19)22-16(12)27/h2-5,7-8,11,13-14,17,25-26H,6H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H3,19,21,22,27)/t8-,11-,13-,14-,17-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy({(S)-hydroxy[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]guanosine |
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 | | CAR | | Name: | CYTOSINE ARABINOSE-5'-PHOSPHATE | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one |
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 | | CB3 | | Name: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | | Formula: | C24 H23 N5 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O | | InChi: | InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-glutamic acid |
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 | | CBC | | Name: | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | | Formula: | C16 H10 Cl F3 N2 O4 S | | SMILES: | FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c3oc2ccc(Cl)cc2c3 | | InChi: | InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23) | | Definition date: | 2005-08-09 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N'-{[2-(trifluoromethyl)phenyl]sulfonyl}-1-benzofuran-2-carbohydrazide |
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 | | CBD | | Name: | CIBACRON BLUE | | Formula: | C29 H20 Cl N7 O11 S3 | | SMILES: | Clc1nc(nc(n1)Nc5ccc(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S(=O)(=O)O)cc5S(=O)(=O)O)Nc6ccccc6S(=O)(=O)O | | InChi: | InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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