 | | XJ0 | | Name: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID | | Formula: | C7 H7 N3 O2 | | SMILES: | O=C(O)/C=C/c1cnc(nc1)N | | InChi: | InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+ | | Synonyms: | (2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid |
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 | | CIY | | Name: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | | Formula: | C10 H10 O3 | | SMILES: | O=CC=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ | | Synonyms: | Coniferaldehyde | | Definition date: | 2010-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
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 | | 612 | | Name: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C16 H26 N2 O3 S | | SMILES: | O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C | | InChi: | InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20) | | Synonyms: | TNK-6123 | | Definition date: | 1999-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione |
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 | | XJX | | Name: | Onalespib | | Formula: | C24 H31 N3 O3 | | SMILES: | O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccc(cc2C3)CN4CCN(CC4)C | | InChi: | InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3 | | Synonyms: | AT13387 | | Definition date: | 2010-07-06 | | Last modified: | 2020-06-17 | | Identifier: | [2,4-dihydroxy-5-(propan-2-yl)phenyl]{5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydro-2H-isoindol-2-yl}methanone |
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 | | CK4 | | Name: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | | Formula: | C16 H13 F3 N4 S | | SMILES: | FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3 | | InChi: | InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23) | | Synonyms: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
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 | | CKR | | Name: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C15 H19 N7 O2 | | SMILES: | O=C2NC(=Nc1cc3nc(nc3cc12)NCCN4CCOCC4)N | | InChi: | InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23) | | Synonyms: | 6-Amino-2-[(2-morpholin-4-ylethyl)amino]-8-oxo-7,8-dihydro-1H-imidazo[4,5-G]quinazolin | | Definition date: | 2008-01-30 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | CL5 | | Name: | N-(3-OXOPROPYL)GLYCINE | | Formula: | C5 H9 N O3 | | SMILES: | O=CCCNCC(=O)O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9) | | Synonyms: | FRAGMENT OF CLAVULANIC ACID | | Definition date: | 2006-10-11 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-oxopropyl)glycine |
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 | | CLT | | Name: | 4-PHENYL-BUTANOIC ACID | | Formula: | C10 H12 O2 | | SMILES: | O=C(O)CCCc1ccccc1 | | InChi: | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) | | Synonyms: | GAMMA-PHENYL-BUTYRIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-phenylbutanoic acid |
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 | | XN1 | | Name: | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN
TANAMIDE | | Formula: | C37 H49 N5 O4 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5 | | InChi: | InChI=1S/C37H49N5O4/c1-25(27-12-6-5-7-13-27)31(35(45)39-34-30-15-9-8-14-28(30)19-33(34)44)20-29(43)23-42-18-17-41(22-26-11-10-16-38-21-26)24-32(42)36(46)40-37(2,3)4/h5-16,21,25,29,31-34,43-44H,17-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t25-,29+,31+,32+,33-,34+/m1/s1 | | Synonyms: | ANALOGUE OF INDINAVIR | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name) |
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 | | XN2 | | Name: | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE
NYLETHYL)-PENTANAMIDE | | Formula: | C39 H50 N4 O6 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(C(c3ccccc3)C)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5 | | InChi: | InChI=1S/C39H50N4O6/c1-25(27-10-6-5-7-11-27)31(37(46)40-36-30-13-9-8-12-28(30)19-33(36)45)20-29(44)22-43-17-16-42(23-32(43)38(47)41-39(2,3)4)21-26-14-15-34-35(18-26)49-24-48-34/h5-15,18,25,29,31-33,36,44-45H,16-17,19-24H2,1-4H3,(H,40,46)(H,41,47)/t25-,29+,31+,32+,33-,36+/m1/s1 | | Synonyms: | ANALOGUE OF INDINAVIR DRUG | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-1-[(2S,4S,5S)-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-phenylhexyl]piperazine-2-carboxamide (non-preferred name) |
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 | | CM5 | | Name: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | | Formula: | C23 H42 O11 | | SMILES: | O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | 5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyclohexylpentyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | CMK | | Name: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID | | Formula: | C17 H26 N3 O15 P | | SMILES: | O=C(O)C1(OC(C(O)CO)C(O)C(O)C1)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O | | InChi: | InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1 | | Synonyms: | CMP-2-KETO-3-DEOXY-OCTULOSONIC ACID | | Definition date: | 2001-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4R,5R,6R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | XNW | | Name: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID | | Formula: | C15 H18 O7 | | SMILES: | O=C1C(O)C(O)CC(O)(C(=O)O)C1Cc2ccc(OC)cc2 | | InChi: | InChI=1S/C15H18O7/c1-22-9-4-2-8(3-5-9)6-10-12(17)13(18)11(16)7-15(10,21)14(19)20/h2-5,10-11,13,16,18,21H,6-7H2,1H3,(H,19,20)/t10-,11+,13-,15+/m0/s1 | | Synonyms: | (2R)-2-METHOXYBENZYL-3-DEHYDROQUINIC ACID | | Definition date: | 2010-04-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,4S,5R)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid |
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 | | CMZ | | Name: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol | | Formula: | C15 H23 N O3 | | SMILES: | OC(CN1CCOCC1)COc2cc(ccc2C)C | | InChi: | InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1 | | Synonyms: | (S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol | | Definition date: | 2007-07-16 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol |
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 | | CNH | | Name: | 2-HYDROXY-2-METHYLPROPANENITRILE | | Formula: | C4 H7 N O | | SMILES: | N#CC(O)(C)C | | InChi: | InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 | | Synonyms: | ACETONE CYANOHYDRIN | | Definition date: | 2000-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-2-methylpropanenitrile |
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 | | CNL | | Name: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE | | Formula: | C10 H18 O | | SMILES: | O2C1(CCC(CC1)C2(C)C)C | | InChi: | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ | | Synonyms: | 1,8-CINEOLE | | Definition date: | 2005-04-04 | | Last modified: | 2020-06-17 | | Identifier: | (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
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 | | CNU | | Name: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H12 N3 O9 P | | SMILES: | N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 | | Synonyms: | 5-cyano-UMP | | Definition date: | 2007-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyanouridine 5'-(dihydrogen phosphate) |
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 | | CO1 | | Name: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC
LOPENTA[A]PHENANTHREN-3-OL | | Formula: | C27 H44 O2 | | SMILES: | OC4CC3=CCC5C2C(C(C(CCC1OC1(C)C)C)CC2)(C)CCC5C3(C)CC4 | | InChi: | InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1 | | Synonyms: | 24,25(S)-EPOXYCHOLESTEROL | | Definition date: | 2003-05-13 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol |
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 | | COK | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN
DIPHOSPHATE | | Formula: | C23 H40 N7 O17 P3 S2 | | SMILES: | O=C(NCCSSCCO)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/C23H40N7O17P3S2/c1-23(2,18(34)21(35)26-4-3-14(32)25-5-7-51-52-8-6-31)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,31,33-34H,3-10H2,1-2H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | S-(THIOETHYLHYDROXY)COENZYME A | | Definition date: | 2006-03-22 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)disulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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 | | XPX | | Name: | (2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPAN
E-1,2-DIYL DIHEXADECANOATE | | Formula: | C53 H99 O23 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC3C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C3OC2OC(CO)C(O)C(O)C2O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C53H99O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(56)69-33-35(71-39(57)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-70-77(67,68)76-51-49(74-52-47(65)42(60)40(58)36(31-54)72-52)45(63)44(62)46(64)50(51)75-53-48(66)43(61)41(59)37(32-55)73-53/h35-37,40-55,58-66H,3-34H2,1-2H3,(H,67,68)/t35-,36-,37-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53-/m1/s1 | | Synonyms: | 2,6-(DI-O-D-MANNOPYRANOSYL)-1-O-(1,2-DI-O-PALMITOYL-SN-GLYCERO-3-PHOSPHORYL)-D-MYO-INOSITOL | | Definition date: | 2006-03-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(R)-hydroxy{[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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 | | COP | | Name: | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID | | Formula: | C27 H27 N9 O6 | | SMILES: | O=C(O)c1ccccc1C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)NCc3nc4c(nc3)nc(nc4N)N | | InChi: | InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1 | | Synonyms: | PT523 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(4S)-4-carboxy-4-{[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}butyl]carbamoyl}benzoic acid |
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 | | COX | | Name: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C16 H14 N2 O3 S | | SMILES: | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 | | InChi: | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) | | Synonyms: | VALDECOXIB | | Definition date: | 2005-09-02 | | Last modified: | 2020-06-17 | | Identifier: | 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide |
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 | | CP4 | | Name: | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL | | Formula: | C24 H24 Cl2 N4 O4 | | SMILES: | Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4 | | InChi: | InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32) | | Synonyms: | CP-526423 | | Definition date: | 2000-03-22 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide) |
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 | | CP6 | | Name: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE | | Formula: | C12 H13 Cl N4 | | SMILES: | Clc2ccc(c1c(nc(nc1CC)N)N)cc2 | | InChi: | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | | Synonyms: | PYRIMETHAMINE | | Definition date: | 2003-02-07 | | Last modified: | 2020-06-17 | | Identifier: | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
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 | | CP8 | | Name: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID | | Formula: | C19 H20 N2 O4 S | | SMILES: | O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4 | | InChi: | InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | | Synonyms: | CP-271485 | | Definition date: | 2003-12-10 | | Last modified: | 2020-06-17 | | Identifier: | (6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one |
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