N~4~-(2,2-Dimethylpropyl)-N~1~-{(2S)-1-[(4-Methylbenzyl)Amino]-1-Oxo-4-Phenyl-2-Butanyl}-N~2~-[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]-L-Aspartamide

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Properties Simple | Detailed

Formula C32H41N5O5
IUPAC Name (2s)-n'-(2,2-dimethylpropyl)-2-[(5-methylisoxazole-3-carbonyl)amino]-n-[(1s)-3-phenyl-1-(p-tolylmethylcarbamoyl)propyl]butanediamide
Molecular Mass 575.698 g·mol−1
Heat of Formation -666.2 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 733.26 Å 3
Surface Area 615.46 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey KVWOEKNSWWTEAJ-UIOOFZCWSA-N
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