Chem
J-GLOBAL ID：200907045765558119   Nikkaji number：J739.344J

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

(4R)-1,3-ビス(3-アミノベンジル)-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-1H-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： C33H36N4O3
Molecular formula furigana： C33-H36-N4-O3
Molecular weight： 536.676
InChI： InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
InChI key： KYRSNWPSSXSNEP-ZRTHHSRSSA-N
SMILES： Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1
Systematic name  (8)：
  • (4R)-ヘキサヒドロ-1,3-ビス[(3-アミノフェニル)メチル]-5α,6β-ジヒドロキシ-4α,7β-ビス(フェニルメチル)-2H-1,3-ジアゼピン-2-オン
  • (4R)-1,3-ジ(3-アミノベンジル)-4α,7β-ジベンジル-5α,6β-ジヒドロキシ-4,5,6,7-テトラヒドロ-1H-1,3-ジアゼピン-2(3H)-オン
  • (4R)-1,3-ビス(3-アミノベンジル)-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
  • (4R)-1,3-ビス(3-アミノベンジル)-4α,7β-ジベンジル-5α,6β-ジヒドロキシ-4,5,6,7-テトラヒドロ-1H-1,3-ジアゼピン-2(3H)-オン
  • (4R)-1,3-ビス(3-アミノベンジル)-4α,7β-ジベンジル-5α,6β-ジヒドロキシヘキサヒドロ-1H-1,3-ジアゼピン-2-オン
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Other name (6)：
  • (4R)-Hexahydro-1,3-bis[(3-aminophenyl)methyl]-5α,6β-dihydroxy-4α,7β-bis(phenylmethyl)-2H-1,3-diazepin-2-one
  • (4R)-1,3-Di(3-aminobenzyl)-4α,7β-dibenzyl-5α,6β-dihydroxy-4,5,6,7-tetrahydro-1H-1,3-diazepine-2(3H)-one
  • (4R)-1,3-Bis(3-aminobenzyl)-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-2H-1,3-diazepine-2-one
  • (4R)-1,3-Bis(3-aminobenzyl)-4α,7β-dibenzyl-5α,6β-dihydroxy-4,5,6,7-tetrahydro-1H-1,3-diazepine-2(3H)-one
  • (4R)-1,3-Bis(3-aminobenzyl)-4α,7β-dibenzyl-5α,6β-dihydroxyhexahydro-1H-1,3-diazepine-2-one
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