3-{[(2R)-2-Hydroxypropyl]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 C32H37N7O3
IUPAC Name 3-[[(2r)-2-hydroxypropyl]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 567.681 g·mol−1
Heat of Formation -75.4 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 699.03 Å 3
Surface Area 531.31 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2r)-2-hydroxypropyl]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-[[(2r)-2-hydroxypropyl]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
InChIKey AYBCFPXLXOLPIZ-JIPXPUAJSA-N
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