(3S)-4-[[(1S)-2-[[6-[[(1R)-2-Amino-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-6-Oxo-Hexyl]Amino]-1-[[4-(Difluoro-Phosphono-Methyl)Phenyl]Methyl]-2-Oxo-Ethyl]Amino]-3-[[2-[4-(Difluoro-Phosphono-Methyl)Phenyl]Acetyl]Amino]-4-Oxo-Butanoic Acid

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Properties Simple | Detailed

Formula C32H41F4N5O13P2S
IUPAC Name (3r)-4-[[(1s)-2-[[6-[[(1s)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexyl]amino]-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxo-butanoic acid
Molecular Mass 873.700 g·mol−1
Heat of Formation -3803.4 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 969.09 Å 3
Surface Area 765.11 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey JNKZDIBIDJQPGC-RBZQAINGSA-N
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