N-{1-[(2,2-Dimethyl-1,3-Dioxolan-4-Yl)Methoxy]-1-Oxo-3-Phenyl-2-Propanyl}Phenylalanyl-β-Alanine

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Properties Simple | Detailed

Formula C27H34N2O7
IUPAC Name 3-[[(2s)-2-[[(1r)-1-benzyl-2-[[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-oxo-ethyl]amino]-3-phenyl-propanoyl]amino]propanoic acid
Molecular Mass 498.568 g·mol−1
Heat of Formation 2868.1 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 490.35 Å 3
Surface Area 407.09 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -2.97 ± eV
Point Group Symmetry C1
InChIKey GWLFRMJMKXSMSR-RJGXRXQPSA-N
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