Chem
J-GLOBAL ID:200907051336186610   Nikkaji number:J778.882G

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

(4R)-1,3-ビス[3-(2,2,2-トリフルオロエチルカルバモイル)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: C39H38F6N4O5
Molecular formula furigana: C39-H38-F6-N4-O5
Molecular weight: 756.746
InChI: InChI=1S/C39H38F6N4O5/c40-38(41,42)23-46-35(52)29-15-7-13-27(17-29)21-48-31(19-25-9-3-1-4-10-25)33(50)34(51)32(20-26-11-5-2-6-12-26)49(37(48)54)22-28-14-8-16-30(18-28)36(53)47-24-39(43,44)45/h1-18,31-34,50-51H,19-24H2,(H,46,52)(H,47,53)/t31-,32-,33+,34+/m1/s1
InChI key: UVWWXOZKXJOILJ-WZJLIZBTSA-N
SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)NCC(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)NCC(F)(F)F)[C@@H]1Cc1ccccc1
Systematic name  (4):
  • 3,3′-[[(2-オキソ-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-1H-1,3-ジアゼピン)-1,3-ジイル]ビスメチレン]ビス[N-(2,2,2-トリフルオロエチル)ベンズアミド]
  • (4R)-1,3-ビス[3-(2,2,2-トリフルオロエチルカルバモイル)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-2-オキソ-3-({3-[(2,2,2-トリフルオロエチル)カルバモイル]フェニル}メチル)-1,3-ジアゼパン-1-イル]メチル}-N-(2,2,2-トリフルオロエチル)ベンズアミド
  • 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-({3-[(2,2,2-trifluoroethyl)carbamoyl]phenyl}methyl)-1,3-diazepan-1-yl]methyl}-N-(2,2,2-trifluoroethyl)benzamide
Other name (2):
  • 3,3′-[[(2-Oxo-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-1H-1,3-diazepine)-1,3-diyl]bismethylene]bis[N-(2,2,2-trifluoroethyl)benzamide]
  • (4R)-1,3-Bis[3-(2,2,2-trifluoroethylcarbamoyl)benzyl]-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-2H-1,3-diazepine-2-one
Thsaurus map:

Return to Previous Page