Chem
J-GLOBAL ID:200907074727395133
Nikkaji number:J1.380.360I
(αR,γS,2S)-N-[(1S)-2α-Hydroxyindan-1α-yl]-α-benzyl-γ-hydroxy-2α-(tert-butylcarbamoyl)-4-(benzofuran-2-ylmethyl)-1-piperazinepentanamide
(αR,γS,2S)-N-[(1S)-2α-ヒドロキシインダン-1α-イル]-α-ベンジル-γ-ヒドロキシ-2α-(tert-ブチルカルバモイル)-4-(ベンゾフラン-2-イルメチル)-1-ピペラジンペンタンアミド
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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:
C39 H48 N4 O5
Molecular formula furigana:
C39-H48-N4-O5
Molecular weight:
652.836
InChI:
InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1
InChI key:
AOMZDQMIOCTPQP-QHQMVRJISA-N
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Systematic name (3):
(αR,γS,2S)-N-[(1S)-2α-ヒドロキシインダン-1α-イル]-α-ベンジル-γ-ヒドロキシ-2α-(tert-ブチルカルバモイル)-4-(ベンゾフラン-2-イルメチル)-1-ピペラジンペンタンアミド
(2S)-4-[(1-ベンゾフラン-2-イル)メチル]-1-[(2S,4R)-4-ベンジル-2-ヒドロキシ-4-{[(1S,2R)-2-ヒドロキシ-2,3-ジヒドロ-1H-インデン-1-イル]カルバモイル}ブチル]-N-tert-ブチルピペラジン-2-カルボキサミド
(2S)-4-[(1-benzofuran-2-yl)methyl]-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butylpiperazine-2-carboxamide
Other name (1):
(αR,γS,2S)-N-[(1S)-2α-Hydroxyindan-1α-yl]-α-benzyl-γ-hydroxy-2α-(tert-butylcarbamoyl)-4-(benzofuran-2-ylmethyl)-1-piperazinepentanamide
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