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

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Properties Simple | Detailed

Formula C30H31BrF2IN4O7P
IUPAC Name [[4-[(2s)-2-[(4-bromo-3-methyl-benzoyl)amino]-3-[[(1s)-1-carbamoyl-4-[(3-iodobenzoyl)amino]butyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 835.369 g·mol−1
Heat of Formation -1677.8 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 786.53 Å 3
Surface Area 658.54 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey PSWNGHKKMCDZPT-DQEYMECFSA-N
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Elements C F I H O N P Br