Chem
J-GLOBAL ID:200907050178099938   Nikkaji number:J2.741.340D

(2S,3Z,5S)-2-Isopropyl-4-(trifluoromethyl)-5-(tert-butyloxycarbonylamino)-6-phenyl-3-hexenoic acid ethyl ester

(2S,3Z,5S)-2-イソプロピル-4-(トリフルオロメチル)-5-(tert-ブチルオキシカルボニルアミノ)-6-フェニル-3-ヘキセン酸エチル
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: C23H32F3NO4
Molecular formula furigana: C23-H32-F3-N-O4
Molecular weight: 443.507
InChI: InChI=1S/C23H32F3NO4/c1-7-30-20(28)17(15(2)3)14-18(23(24,25)26)19(13-16-11-9-8-10-12-16)27-21(29)31-22(4,5)6/h8-12,14-15,17,19H,7,13H2,1-6H3,(H,27,29)/b18-14-/t17-,19+/m1/s1
InChI key: FMGOJQZZSLNKJE-DKALKVKCSA-N
SMILES: CCOC(=O)[C@H](/C=C(/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)\C(F)(F)F)C(C)C
Systematic name  (3):
  • (2S,3Z,5S)-2-イソプロピル-4-(トリフルオロメチル)-5-(tert-ブチルオキシカルボニルアミノ)-6-フェニル-3-ヘキセン酸エチル
  • エチル (2S,3Z,5S)-5-{[(tert-ブトキシ)カルボニル]アミノ}-6-フェニル-2-(プロパン-2-イル)-4-(トリフルオロメチル)ヘキサ-3-エノアート
  • ethyl (2S,3Z,5S)-5-{[(tert-butoxy)carbonyl]amino}-6-phenyl-2-(propan-2-yl)-4-(trifluoromethyl)hex-3-enoate
Other name (1):
  • (2S,3Z,5S)-2-Isopropyl-4-(trifluoromethyl)-5-(tert-butyloxycarbonylamino)-6-phenyl-3-hexenoic acid ethyl ester
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