Chem
J-GLOBAL ID：201507020749640691   Nikkaji number：J3.388.667E

4-[[[(3R,5R,6S)-1-[(1S)-1-Cyclopropyl-2-(tert-butylsulfonyl)ethyl]-5-(3-chlorophenyl)-6-(4-chloro-3-fluorophenyl)-2-oxo-3-methylpiperidine-3β-yl]acetyl]amino]-2-methoxybenzoic acid

4-[[[(3R,5R,6S)-1-[(1S)-1-シクロプロピル-2-(tert-ブチルスルホニル)エチル]-5-(3-クロロフェニル)-6-(4-クロロ-3-フルオロフェニル)-2-オキソ-3-メチルピペリジン-3β-イル]アセチル]アミノ]-2-メトキシ安息香酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H41Cl2FN2O7S
Molecular formula furigana： C37-H41-CL2-F-N2-O7-S
Molecular weight： 747.700
InChI： InChI=1S/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/m1/s1
InChI key： QGOICCMBEDDFCI-NXQGQTBASA-N
SMILES： COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)c(F)c2)c2cccc(Cl)c2)ccc1C(=O)O
Systematic name  (3)：
  • 4-[[[(3R,5R,6S)-1-[(1S)-1-シクロプロピル-2-(tert-ブチルスルホニル)エチル]-5-(3-クロロフェニル)-6-(4-クロロ-3-フルオロフェニル)-2-オキソ-3-メチルピペリジン-3β-イル]アセチル]アミノ]-2-メトキシ安息香酸
  • 4-{2-[(3R,5R,6S)-6-(4-クロロ-3-フルオロフェニル)-5-(3-クロロフェニル)-1-[(1S)-1-シクロプロピル-2-(2-メチルプロパン-2-スルホニル)エチル]-3-メチル-2-オキソピペリジン-3-イル]アセトアミド}-2-メトキシ安息香酸
  • 4-{2-[(3R,5R,6S)-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(2-methylpropane-2-sulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl]acetamido}-2-methoxybenzoic acid
Other name (1)：
  • 4-[[[(3R,5R,6S)-1-[(1S)-1-Cyclopropyl-2-(tert-butylsulfonyl)ethyl]-5-(3-chlorophenyl)-6-(4-chloro-3-fluorophenyl)-2-oxo-3-methylpiperidine-3β-yl]acetyl]amino]-2-methoxybenzoic acid
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