Chem
J-GLOBAL ID:200907003276185976   Nikkaji number:J1.893.979G

(S)-2-(tert-Butoxycarbonylamino)-6-[4-(ethoxycarbonyl)phenyl]hexanoic acid methyl ester

(S)-2-(tert-ブトキシカルボニルアミノ)-6-[4-(エトキシカルボニル)フェニル]ヘキサン酸メチル
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: C21H31NO6
Molecular formula furigana: C21-H31-N-O6
Molecular weight: 393.480
InChI: InChI=1S/C21H31NO6/c1-6-27-18(23)16-13-11-15(12-14-16)9-7-8-10-17(19(24)26-5)22-20(25)28-21(2,3)4/h11-14,17H,6-10H2,1-5H3,(H,22,25)/t17-/m0/s1
InChI key: VIPPEFOTAXCMRP-KRWDZBQOSA-N
SMILES: CCOC(=O)c1ccc(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1
Systematic name  (3):
  • (S)-2-(tert-ブトキシカルボニルアミノ)-6-[4-(エトキシカルボニル)フェニル]ヘキサン酸メチル
  • エチル 4-[(5S)-5-{[(tert-ブトキシ)カルボニル]アミノ}-6-メトキシ-6-オキソヘキシル]ベンゾアート
  • ethyl 4-[(5S)-5-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexyl]benzoate
Other name (1):
  • (S)-2-(tert-Butoxycarbonylamino)-6-[4-(ethoxycarbonyl)phenyl]hexanoic acid methyl ester
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