1-(4-Oxo-6-Phenyl-5-{[(2E)-3-Phenyl-2-Propenoyl]Amino}Hexanoyl)-L-Prolyl-L-Proline

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Properties Simple | Detailed

Formula C31H35N3O6
IUPAC Name (2s)-1-[(2s)-1-[(5r)-4-oxo-6-phenyl-5-[[(e)-3-phenylprop-2-enoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Molecular Mass 545.626 g·mol−1
Heat of Formation -902.4 ± 16.7 kJ·mol−1
Dipole Moment 6.48 ± 1.08 D
Volume 662.73 Å 3
Surface Area 489.32 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey DMQWIWWUQXRXSS-JWBCENJPSA-N
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