(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)Ethyl]Amino}Acetyl]-2-Azetidinecarboxamide

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Properties Simple | Detailed

Formula C25H38N6O3
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetyl]azetidine-2-carboxamide
Molecular Mass 470.608 g·mol−1
Heat of Formation -456.8 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 594.95 Å 3
Surface Area 455.94 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey YEOMROVWVBLQCS-RBBKRZOGSA-N
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