Chem
J-GLOBAL ID:200907049131634179   Nikkaji number:J1.730.794K

N-[(6R)-4-[(E)-3-Phenyl-2-propenyl]-5-oxohexahydro-1,4-thiazepine-6β-yl]-4-(phosphonooxy)benzamide

N-[(6R)-4-[(E)-3-フェニル-2-プロペニル]-5-オキソヘキサヒドロ-1,4-チアゼピン-6β-イル]-4-(ホスホノオキシ)ベンズアミド
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: C21H23N2O6PS
Molecular formula furigana: C21-H23-N2-O6-P-S
Molecular weight: 462.460
InChI: InChI=1S/C21H23N2O6PS/c24-20(17-8-10-18(11-9-17)29-30(26,27)28)22-19-15-31-14-13-23(21(19)25)12-4-7-16-5-2-1-3-6-16/h1-11,19H,12-15H2,(H,22,24)(H2,26,27,28)/b7-4+/t19-/m0/s1
InChI key: VNOAELOPLHJIJH-QTWIXLPOSA-N
SMILES: OP(=O)(O)Oc1ccc(cc1)C(=O)N[C@H]1CSCCN(C/C=C/c2ccccc2)C1=O
Systematic name  (3):
  • N-[(6R)-4-[(E)-3-フェニル-2-プロペニル]-5-オキソヘキサヒドロ-1,4-チアゼピン-6β-イル]-4-(ホスホノオキシ)ベンズアミド
  • (4-{[(6R)-5-オキソ-4-[(2E)-3-フェニルプロパ-2-エン-1-イル]-1,4-チアゼパン-6-イル]カルバモイル}フェノキシ)ホスホン酸
  • (4-{[(6R)-5-oxo-4-[(2E)-3-phenylprop-2-en-1-yl]-1,4-thiazepan-6-yl]carbamoyl}phenoxy)phosphonic acid
Other name (1):
  • N-[(6R)-4-[(E)-3-Phenyl-2-propenyl]-5-oxohexahydro-1,4-thiazepine-6β-yl]-4-(phosphonooxy)benzamide
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