N-(4-Bromo-3-Methylbenzoyl)-4-[Difluoro(Phosphono)Methyl]-L-Phenylalanyl-N~5~-(3-Iodobenzoyl)-L-Ornithyl-3-{[(4-Hydroxy-3-Methoxyphenyl)Acetyl]Amino}-D-Alaninamide

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Properties Simple | Detailed

Formula C42H45BrF2IN6O11P
IUPAC Name [[4-[(2s)-3-[[(1s)-1-[[(1r)-2-amino-1-[[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]methyl]-2-oxo-ethyl]carbamoyl]-4-[(3-iodobenzoyl)amino]butyl]amino]-2-[(4-bromo-3-methyl-benzoyl)amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Molecular Mass 1085.619 g·mol−1
Heat of Formation -2309.0 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 1093.53 Å 3
Surface Area 865.17 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey UUBNUVGMYMXEBE-XFCANUNOSA-N
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Elements C F I H O N P Br