5-Oxo-L-Prolyl-3-(4H-Imidazol-4-Yl)-N-{[(2S,3S)-3-Methyl-2-Pyrrolidinyl]Carbonyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C17H24N6O4
IUPAC Name (2s)-n-[(1s)-1-[[(4s)-4h-imidazol-4-yl]methyl]-2-[[(2s,3s)-3-methylpyrrolidine-2-carbonyl]amino]-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 376.410 g·mol−1
Heat of Formation -514.0 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 456.62 Å 3
Surface Area 396.08 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey YRANAJWOIWUDMB-JNLQPACOSA-N
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