N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)Carbonyl]Amino}-2-Phenylethyl](Hydroxy)Phosphoryl}-2-[(3-Phenyl-1,2-Oxazol-5-Yl)Methyl]Propanoyl}-L-Tyrosine

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Properties Simple | Detailed

Formula C38H38N3O9P
IUPAC Name (2s)-2-[[(2s)-2-[[[(1r)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 711.697 g·mol−1
Heat of Formation -1222.0 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 836.34 Å 3
Surface Area 667.96 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey ZPFSKFCSVXPMBD-JHOVWCEZSA-N
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