O-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)Ethyl]-N-(4-Oxo-4-Phenyl-2-Butanyl)-L-Tyrosine

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Properties Simple | Detailed

Formula C31H19N2O5
IUPAC Name carbon dioxide; (4z)-8-[1-[2-[4-[2-(5-methylene-2-phenyl-oxazol-3-ium-4-yl)ethynoxy]phenyl]ethynyl]aziridin-2-yl]cycloocta-1,2,4,6,7-pentaen-1-ol
Molecular Mass 499.493 g·mol−1
Heat of Formation 4595.5 ± 16.7 kJ·mol−1
Dipole Moment 7.79 ± 1.08 D
Volume 559.8 Å 3
Surface Area 512.16 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey HJCQEONSDMSVQK-KMRXNPHXSA-N
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