Chem
J-GLOBAL ID:200907000948796376
Nikkaji number:J902.706H
(2S,4S,5S)-2-Benzyl-4-hydroxy-5-(dibenzylamino)octanoic acid methyl ester
(2S,4S,5S)-2-ベンジル-4-ヒドロキシ-5-(ジベンジルアミノ)オクタン酸メチル
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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:
C30 H37 NO3
Molecular formula furigana:
C30-H37-N-O3
Molecular weight:
459.630
InChI:
InChI=1S/C30H37NO3/c1-3-13-28(29(32)21-27(30(33)34-2)20-24-14-7-4-8-15-24)31(22-25-16-9-5-10-17-25)23-26-18-11-6-12-19-26/h4-12,14-19,27-29,32H,3,13,20-23H2,1-2H3/t27-,28-,29-/m0/s1
InChI key:
BWOZHGJFMGDKHP-AWCRTANDSA-N
SMILES:
CCC[C@@H]([C@@H](O)C[C@H](Cc1ccccc1)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
Systematic name (3):
(2S,4S,5S)-2-ベンジル-4-ヒドロキシ-5-(ジベンジルアミノ)オクタン酸メチル
メチル (2S,4S,5S)-2-ベンジル-5-(ジベンジルアミノ)-4-ヒドロキシオクタノアート
methyl (2S,4S,5S)-2-benzyl-5-(dibenzylamino)-4-hydroxyoctanoate
Other name (1):
(2S,4S,5S)-2-Benzyl-4-hydroxy-5-(dibenzylamino)octanoic acid methyl ester
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