Chem
J-GLOBAL ID:200907085632513742   Nikkaji number:J1.328.552G

(3S,4R,5S)-3-Hydroxy-4-(benzyloxycarbonylamino)-5-methylheptanoic acid methyl ester

(3S,4R,5S)-3-ヒドロキシ-4-(ベンジルオキシカルボニルアミノ)-5-メチルヘプタン酸メチル
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: C17H25NO5
Molecular formula furigana: C17-H25-N-O5
Molecular weight: 323.389
InChI: InChI=1S/C17H25NO5/c1-4-12(2)16(14(19)10-15(20)22-3)18-17(21)23-11-13-8-6-5-7-9-13/h5-9,12,14,16,19H,4,10-11H2,1-3H3,(H,18,21)/t12-,14-,16+/m0/s1
InChI key: AJOCCGFAXUDZES-DUVNUKRYSA-N
SMILES: CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)OC
Systematic name  (3):
  • (3S,4R,5S)-3-ヒドロキシ-4-(ベンジルオキシカルボニルアミノ)-5-メチルヘプタン酸メチル
  • メチル (3S,4R,5S)-4-{[(ベンジルオキシ)カルボニル]アミノ}-3-ヒドロキシ-5-メチルヘプタノアート
  • methyl (3S,4R,5S)-4-{[(benzyloxy)carbonyl]amino}-3-hydroxy-5-methylheptanoate
Other name (1):
  • (3S,4R,5S)-3-Hydroxy-4-(benzyloxycarbonylamino)-5-methylheptanoic acid methyl ester
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