(2S)-3-{[(1R)-1-({N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl}Amino)-2-Methylpropyl](Hydroxy)Phosphoryl}-2-(3-Carbamimidamidophenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C31H38N5O7P
IUPAC Name (2s)-3-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]-2-(3-guanidinophenyl)propanoic acid
Molecular Mass 623.636 g·mol−1
Heat of Formation -1237.4 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 747.65 Å 3
Surface Area 531.56 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey SYQCJJZICSZGRU-UNCTUWKVSA-N
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