(5S,9R,12S)-12-[3-(Aminomethyl)Phenyl]-5-Benzyl-10-Hydroxy-9-Isopropyl-3-Oxo-1-Phenyl-2-Oxa-7-Thia-4,8-Diaza-10-Phosphatridecan-13-Oic Acid 7,7,10-Trioxide

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Properties Simple | Detailed

Formula C31H40N3O8PS
IUPAC Name (2s)-2-[3-(aminomethyl)phenyl]-3-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]sulfonylamino]-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid
Molecular Mass 645.703 g·mol−1
Heat of Formation -1412.5 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 768.82 Å 3
Surface Area 611.95 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey FGYZBAFIDVPVGG-YTCPBCGMSA-N
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