3-Amino-3-Methyl-N-[(3R)-2-Oxo-1-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-2,3,4,5-Tetrahydro-1H-1-Benzazepin-3-Yl]Butanamide

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Properties Simple | Detailed

Formula C29H31N7O2
IUPAC Name 3-amino-3-methyl-n-[(3r)-2-oxo-1-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3h-1-benzazepin-3-yl]butanamide
Molecular Mass 509.602 g·mol−1
Heat of Formation 134.5 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 618.89 Å 3
Surface Area 489.52 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-3-methyl-n-[(3r)-2-oxo-1-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3h-1-benzazepin-3-yl]butanamide
  • 3-amino-n-[(3r)-2-keto-1-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]-4,5-dihydro-3h-1-benzazepin-3-yl]-3-methyl-butyramide
  • butanamide, 3-amino-3-methyl-n-(2,3,4,5-tetrahydro-2-oxo-1-((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1h-1-benzazepin-3-yl)-, (r)-
  • butanamide, 3-amino-3-methyl-n-(2,3,4,5-tetrahydro-2-oxo-1-((2'-(1h-tetrtazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1h-1-benzazepin-3-yl)-, (r)-
  • l 692,429
  • l 692429
  • l-692,429
  • l-692429
CAS Number(s)
  • 145455-23-8
InChIKey SBJLJOFPWOYATP-XMMPIXPASA-N
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