Chem
J-GLOBAL ID:200907000038714520   Nikkaji number:J1.147.690B

(5S)-3-(Phenylsulfonyl)-4-acetoxy-5-(tert-butoxycarbonylamino)-6-(4-tert-butoxyphenyl)hexanoic acid tert-butyl ester

(5S)-3-(フェニルスルホニル)-4-アセトキシ-5-(tert-ブトキシカルボニルアミノ)-6-(4-tert-ブトキシフェニル)ヘキサン酸tert-ブチル
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: C33H47NO9S
Molecular formula furigana: C33-H47-N-O9-S
Molecular weight: 633.800
InChI: InChI=1S/C33H47NO9S/c1-22(35)40-29(27(21-28(36)42-32(5,6)7)44(38,39)25-14-12-11-13-15-25)26(34-30(37)43-33(8,9)10)20-23-16-18-24(19-17-23)41-31(2,3)4/h11-19,26-27,29H,20-21H2,1-10H3,(H,34,37)/t26-,27?,29?/m0/s1
InChI key: LUYAPOKXVKWFBB-JLBRLKOWSA-N
SMILES: CC(=O)OC([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
Systematic name  (3):
  • (5S)-3-(フェニルスルホニル)-4-アセトキシ-5-(tert-ブトキシカルボニルアミノ)-6-(4-tert-ブトキシフェニル)ヘキサン酸tert-ブチル
  • tert-ブチル (5S)-4-(アセチルオキシ)-3-(ベンゼンスルホニル)-5-{[(tert-ブトキシ)カルボニル]アミノ}-6-[4-(tert-ブトキシ)フェニル]ヘキサノアート
  • tert-butyl (5S)-4-(acetyloxy)-3-(benzenesulfonyl)-5-{[(tert-butoxy)carbonyl]amino}-6-[4-(tert-butoxy)phenyl]hexanoate
Other name (1):
  • (5S)-3-(Phenylsulfonyl)-4-acetoxy-5-(tert-butoxycarbonylamino)-6-(4-tert-butoxyphenyl)hexanoic acid tert-butyl ester
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