(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-Cyclohexyl-2-{[2-(Dimethylamino)-2-Oxoethyl]Amino}Acetyl]-2-Azetidinecarboxamide

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Formula C24H36N6O3
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxo-ethyl]amino]acetyl]azetidine-2-carboxamide
Molecular Mass 456.581 g·mol−1
Heat of Formation -398.9 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 569.2 Å 3
Surface Area 467.12 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
InChIKey UBUHFANKPRTXGI-PZJWPPBQSA-N
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