Chem
J-GLOBAL ID：200907048018262480   Nikkaji number：J1.730.781I

N-[(3S)-1-(4-Biphenylylmethyl)-2-oxohexahydro-1H-azepine-3β-yl]-Nα-acetyl-O-phosphono-L-tyrosinamide

N-[(3S)-1-(4-ビフェニリルメチル)-2-オキソヘキサヒドロ-1H-アゼピン-3β-イル]-Nα-アセチル-O-ホスホノ-L-チロシンアミド
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： C30H34N3O7P
Molecular formula furigana： C30-H34-N3-O7-P
Molecular weight： 579.590
InChI： InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
InChI key： GGPXNASQNUOIPB-NSOVKSMOSA-N
SMILES： CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)c2ccccc2)C1=O
Systematic name  (3)：
  • N-[(3S)-1-(4-ビフェニリルメチル)-2-オキソヘキサヒドロ-1H-アゼピン-3β-イル]-Nα-アセチル-O-ホスホノ-L-チロシンアミド
  • {4-[(2S)-2-{[(3S)-1-({[1,1'-ビフェニル]-4-イル}メチル)-2-オキソアゼパン-3-イル]カルバモイル}-2-アセトアミドエチル]フェノキシ}ホスホン酸
  • {4-[(2S)-2-{[(3S)-1-({[1,1'-biphenyl]-4-yl}methyl)-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]phenoxy}phosphonic acid
Other name (1)：
  • N-[(3S)-1-(4-Biphenylylmethyl)-2-oxohexahydro-1H-azepine-3β-yl]-Nα-acetyl-O-phosphono-L-tyrosinamide
Thsaurus map：
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