Chem
J-GLOBAL ID:200907026919240457   Nikkaji number:J2.517.931E

N,N-Diisopropyl-N′-[(1S,2S)-1-benzyl-2-hydroxy-3-(benzylamino)propyl]isophthalamide

N,N-ジイソプロピル-N′-[(1S,2S)-1-ベンジル-2-ヒドロキシ-3-(ベンジルアミノ)プロピル]イソフタルアミド
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: C31H39N3O3
Molecular formula furigana: C31-H39-N3-O3
Molecular weight: 501.671
InChI: InChI=1S/C31H39N3O3/c1-22(2)34(23(3)4)31(37)27-17-11-16-26(19-27)30(36)33-28(18-24-12-7-5-8-13-24)29(35)21-32-20-25-14-9-6-10-15-25/h5-17,19,22-23,28-29,32,35H,18,20-21H2,1-4H3,(H,33,36)/t28-,29-/m0/s1
InChI key: HOEDEICVSIHUEN-VMPREFPWSA-N
SMILES: CC(C)N(C(C)C)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1
Systematic name  (3):
  • N,N-ジイソプロピル-N′-[(1S,2S)-1-ベンジル-2-ヒドロキシ-3-(ベンジルアミノ)プロピル]イソフタルアミド
  • N3-[(2S,3S)-4-(ベンジルアミノ)-3-ヒドロキシ-1-フェニルブタン-2-イル]-N1,N1-ビス(プロパン-2-イル)ベンゼン-1,3-ジカルボキサミド
  • N3-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-N1,N1-bis(propan-2-yl)benzene-1,3-dicarboxamide
Other name (1):
  • N,N-Diisopropyl-N′-[(1S,2S)-1-benzyl-2-hydroxy-3-(benzylamino)propyl]isophthalamide
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