N-Acetyl-4-[Difluoro(Phosphono)Methyl]-L-Phenylalanyl-N~5~-(3-Iodobenzoyl)-L-Ornithinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28F2IN4O7P
IUPAC Name [[4-[(2s)-2-acetamido-3-[[(1s)-1-carbamoyl-4-[(3-iodobenzoyl)amino]butyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 680.377 g·mol−1
Heat of Formation -1801.4 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 662.56 Å 3
Surface Area 569.3 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey DSHZHFAULLMSCZ-PMACEKPBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N P