N-{(3S)-5-(4-Aminobenzoyl)-1-[(2-Methoxy-1-Naphthyl)Methyl]-2-Oxo-2,3,4,5-Tetrahydro-1H-1,5-Benzodiazepin-3-Yl}-N~2~-Methyl-L-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C32H33N5O4
IUPAC Name (2s)-n-[(3s)-1-(4-aminobenzoyl)-5-[(2-methoxy-1-naphthyl)methyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide
Molecular Mass 551.636 g·mol−1
Heat of Formation -332.9 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 653.17 Å 3
Surface Area 476.57 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey BXNIMYHZUMCTGM-FNZWTVRRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N