Chem
J-GLOBAL ID：200907050441696121   Nikkaji number：J1.389.210E

(4R)-1,3-Bis[3-(1H-imidazole-2-ylcarbamoyl)benzyl]-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-2H-1,3-diazepine-2-one

(4R)-1,3-ビス[3-(1H-イミダゾール-2-イルカルバモイル)ベンジル]-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-2H-1,3-ジアゼピン-2-オン
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： C41H40N8O5
Molecular formula furigana： C41-H40-N8-O5
Molecular weight： 724.822
InChI： InChI=1S/C41H40N8O5/c50-35-33(23-27-9-3-1-4-10-27)48(25-29-13-7-15-31(21-29)37(52)46-39-42-17-18-43-39)41(54)49(34(36(35)51)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(53)47-40-44-19-20-45-40/h1-22,33-36,50-51H,23-26H2,(H2,42,43,46,52)(H2,44,45,47,53)/t33-,34-,35+,36+/m1/s1
InChI key： XFNBBSJRWLSLFP-NWJWHWDBSA-N
SMILES： O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)[C@@H]1Cc1ccccc1
Systematic name  (3)：
  • (4R)-1,3-ビス[3-(1H-イミダゾール-2-イルカルバモイル)ベンジル]-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-2H-1,3-ジアゼピン-2-オン
  • 3-{[(4R,5S,6S,7R)-4,7-ジベンジル-5,6-ジヒドロキシ-3-({3-[(1H-イミダゾール-2-イル)カルバモイル]フェニル}メチル)-2-オキソ-1,3-ジアゼパン-1-イル]メチル}-N-(1H-イミダゾール-2-イル)ベンズアミド
  • 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-({3-[(1H-imidazol-2-yl)carbamoyl]phenyl}methyl)-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1H-imidazol-2-yl)benzamide
Other name (1)：
  • (4R)-1,3-Bis[3-(1H-imidazole-2-ylcarbamoyl)benzyl]-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-2H-1,3-diazepine-2-one
Thsaurus map：
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