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

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Properties Simple | Detailed

Formula C31H37N5O3
IUPAC Name 3-amino-3-methyl-n-[(3r)-1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]butanamide
Molecular Mass 527.657 g·mol−1
Heat of Formation -365.5 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 669.4 Å 3
Surface Area 506.54 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-3-methyl-n-[(3r)-1-[[4-[2-[(methylcarbamoylamino)methyl]phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]butanamide
  • 3-amino-n-[(3r)-2-keto-1-[4-[2-[(methylcarbamoylamino)methyl]phenyl]benzyl]-4,5-dihydro-3h-1-benzazepin-3-yl]-3-methyl-butyramide
InChIKey DDHRZXVHYVZDBS-AREMUKBSSA-N
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