 | | TTN | | Name: | TARTRONATE | | Formula: | C3 H2 O5 | | SMILES: | [O-]C(=O)C(O)C([O-])=O | | InChi: | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 | | Definition date: | 2000-02-16 | | Last modified: | 2011-06-04 | | Identifier: | hydroxypropanedioate |
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 | | ZCY | | Name: | (S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE | | Formula: | C7 H12 N3 O6 P | | SMILES: | O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N | | InChi: | InChI=1S/C7H12N3O6P/c8-6-1-2-10(7(12)9-6)3-5(11)4-16-17(13,14)15/h1-2,5,11H,3-4H2,(H2,8,9,12)(H2,13,14,15)/t5-/m0/s1 | | Definition date: | 2008-03-28 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate |
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 | | UNJ | | Name: | 5-bromo-1-benzofuran-2-carboxylic acid | | Formula: | C9 H5 Br O3 | | SMILES: | O=C(O)c2oc1ccc(Br)cc1c2 | | InChi: | InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12) | | Definition date: | 2011-03-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-bromo-1-benzofuran-2-carboxylic acid |
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 | | TTO | | Name: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM | | Formula: | C24 H20 As O2 | | SMILES: | Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1 | | Definition date: | 2001-02-01 | | Last modified: | 2011-06-04 | | Identifier: | (3,4-dihydroxyphenyl)(triphenyl)arsonium |
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 | | TF3 | | Name: | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | | Formula: | C20 H25 Cl N2 O2 | | SMILES: | Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN | | InChi: | InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24) | | Definition date: | 2005-06-08 | | Last modified: | 2011-06-04 | | Identifier: | N-(2-aminoethyl)-2-(3-chloro-4-{[4-(1-methylethyl)benzyl]oxy}phenyl)acetamide |
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 | | OIR | | Name: | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | | Formula: | C21 H24 N2 O4 S | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C | | InChi: | InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1 | | Definition date: | 2003-11-07 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2R)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-alanine |
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 | | TTP | | Name: | THYMIDINE-5'-TRIPHOSPHATE | | Formula: | C10 H17 N2 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | | InChi: | InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | thymidine 5'-(tetrahydrogen triphosphate) |
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 | | TF4 | | Name: | DICHLORO-ACETIC ACID | | Formula: | C2 H2 Cl2 O2 | | SMILES: | ClC(Cl)C(=O)O | | InChi: | InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) | | Definition date: | 2005-06-08 | | Last modified: | 2011-06-04 | | Identifier: | dichloroacetic acid |
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 | | T07 | | Name: | 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine | | Formula: | C9 H8 Cl2 N4 S | | SMILES: | Clc1ccc(c(Cl)c1)CSc2nnc(N)n2 | | InChi: | InChI=1S/C9H8Cl2N4S/c10-6-2-1-5(7(11)3-6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15) | | Definition date: | 2009-09-01 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine |
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 | | TF5 | | Name: | 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL | | Formula: | C14 H11 F3 O2 | | SMILES: | Fc2ccc(c1ccccc1OCCO)c(F)c2F | | InChi: | InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2 | | Definition date: | 2007-02-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol |
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 | | PCM | | Name: | 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | | Formula: | C32 H42 N4 O7 | | SMILES: | O=C(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C | | InChi: | InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide |
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 | | WV7 | | Name: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol | | Formula: | C11 H10 F3 N O2 | | SMILES: | FC(F)(F)C(=O)N2Cc1c(cc(O)cc1)CC2 | | InChi: | InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2 | | Definition date: | 2010-10-05 | | Last modified: | 2011-06-04 | | Identifier: | 2,2,2-trifluoro-1-(6-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone |
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 | | YRG | | Name: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | | Formula: | C15 H13 Cl O3 | | SMILES: | Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2 | | InChi: | InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1 | | Definition date: | 2008-02-28 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid |
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 | | XBV | | Name: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} | | Formula: | C24 H21 Cl F3 N5 O3 | | SMILES: | FC(F)CN4CC(C(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C(C(=O)Nc3ncc(Cl)cc3)C4 | | InChi: | InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1 | | Definition date: | 2010-04-15 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4R)-N-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]pyrrolidine-3,4-dicarboxamide |
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 | | UNN | | Name: | (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE | | Formula: | C23 H19 F2 N3 | | SMILES: | Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F | | InChi: | InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 6,7-difluoro-N-[(1S)-1-methyl-2,2-diphenylethyl]quinazolin-4-amine |
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 | | PRB | | Name: | 13-ACETYLPHORBOL | | Formula: | C22 H30 O7 | | SMILES: | O=C1C(=CC2C3(O)C(C)C(O)C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C | | InChi: | InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate |
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 | | NOL | | Name: | N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | | Formula: | C32 H50 N4 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CO)CC3CCCCC3)C(OC(C)(C)C)C | | InChi: | InChI=1S/C32H50N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,21-22,24-27,37H,5,7-8,11-12,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1 | | Definition date: | 2006-06-14 | | Last modified: | 2011-06-04 | | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-[(1S)-2-hydroxy-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}ethyl]-L-alaninamide |
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 | | UNQ | | Name: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid | | Formula: | C19 H20 N4 O3 | | SMILES: | O=C(O)c2oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4 | | InChi: | InChI=1S/C19H20N4O3/c20-13-2-4-14(5-3-13)22-18-10-21-9-15(23-18)11-1-6-16-12(7-11)8-17(26-16)19(24)25/h1,6-10,13-14H,2-5,20H2,(H,22,23)(H,24,25)/t13-,14- | | Definition date: | 2011-03-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid |
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 | | PCQ | | Name: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL | | Formula: | C12 H6 Cl4 O2 | | SMILES: | Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2 | | InChi: | InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H | | Definition date: | 2000-11-03 | | Last modified: | 2011-06-04 | | Identifier: | 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol |
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 | | PRE | | Name: | PREPHENIC ACID | | Formula: | C10 H10 O6 | | SMILES: | O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O | | InChi: | InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid |
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 | | YAK | | Name: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | | Formula: | C23 H23 F N4 O6 S2 | | SMILES: | Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)C5CCCC45 | | InChi: | InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,26,29H,2-4,12H2,1H3,(H,25,27)/t16-,18+/m1/s1 | | Definition date: | 2009-04-17 | | Last modified: | 2011-06-04 | | Identifier: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
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 | | PCS | | Name: | PHENYLALANYLMETHYLCHLORIDE | | Formula: | C10 H12 Cl N O | | SMILES: | ClCC(=O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 | | Definition date: | 2000-04-05 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-amino-1-chloro-4-phenylbutan-2-one |
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 | | YAN | | Name: | 1,2-DICHLOROBENZENE | | Formula: | C6 H4 Cl2 | | SMILES: | Clc1ccccc1Cl | | InChi: | InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H | | Definition date: | 2007-02-12 | | Last modified: | 2011-06-04 | | Identifier: | 1,2-dichlorobenzene |
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 | | PRH | | Name: | 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE | | Formula: | C10 H15 N4 O5 | | SMILES: | OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (6S)-6-hydroxy-9-beta-D-ribofuranosyl-6,9-dihydro-1H-purin-7-ium |
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 | | UNU | | Name: | BENZAMIDE | | Formula: | C7 H7 N O | | SMILES: | O=C(N)c1ccccc1 | | InChi: | InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) | | Definition date: | 2007-04-20 | | Last modified: | 2011-06-04 | | Identifier: | benzamide |
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