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

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Properties Simple | Detailed

Formula C30H36N5O9P
IUPAC Name (2s)-2-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-2-(3-guanidinophenyl)acetic acid
Molecular Mass 641.609 g·mol−1
Heat of Formation -1605.6 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 745.32 Å 3
Surface Area 576.93 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey YRZNVYCMTZKRPJ-OHSXHVKISA-N
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