Chem
J-GLOBAL ID:201407057693119628   Nikkaji number:J3.307.928A

BMS-605339

N-(シクロプロピルスルホニル)-1-[[[1-[(S)-2-[(tert-ブチルオキシカルボニル)アミノ]-3,3-ジメチルブタノイル]-4β-[(6-メトキシイソキノリン-1-イル)オキシ]ピロリジン-2α-イル]カルボニル]アミノ]-2α-ビニルシクロプロパン-1α-カルボアミド
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: C35H47N5O9S
Molecular formula furigana: C35-H47-N5-O9-S
Molecular weight: 713.850
InChI: InChI=1S/C35H47N5O9S/c1-9-21-18-35(21,31(43)39-50(45,46)24-11-12-24)38-28(41)26-17-23(48-29-25-13-10-22(47-8)16-20(25)14-15-36-29)19-40(26)30(42)27(33(2,3)4)37-32(44)49-34(5,6)7/h9-10,13-16,21,23-24,26-27H,1,11-12,17-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43)/t21-,23-,26+,27-,35-/m1/s1
InChI key: IYWRCNFZPNEADN-CXODAYGWSA-N
SMILES: COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1
Systematic name  (3):
  • N-(シクロプロピルスルホニル)-1-[[[1-[(S)-2-[(tert-ブチルオキシカルボニル)アミノ]-3,3-ジメチルブタノイル]-4β-[(6-メトキシイソキノリン-1-イル)オキシ]ピロリジン-2α-イル]カルボニル]アミノ]-2α-ビニルシクロプロパン-1α-カルボアミド
  • tert-ブチル N-[(2S)-1-[(2S,4R)-2-{[(1R,2S)-1-[(シクロプロパンスルホニル)カルバモイル]-2-エテニルシクロプロピル]カルバモイル}-4-[(6-メトキシイソキノリン-1-イル)オキシ]ピロリジン-1-イル]-3,3-ジメチル-1-オキソブタン-2-イル]カルバマート
  • tert-butyl N-[(2S)-1-[(2S,4R)-2-{[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]carbamoyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Other name (2):
  • N-(Cyclopropylsulfonyl)-1-[[[1-[(S)-2-[(tert-butyloxycarbonyl)amino]-3,3-dimethylbutanoyl]-4β-[(6-methoxyisoquinoline-1-yl)oxy]pyrrolidine-2α-yl]carbonyl]amino]-2α-vinylcyclopropane-1α-carboxamide
  • BMS-605339
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