N~2~-[(4-Methyl-1-Piperazinyl)Carbonyl]-N-[5-Phenyl-1-(Phenylsulfonyl)-1-Penten-3-Yl]Argininamide

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Formula C29H41N7O4S
IUPAC Name n-[(1s)-1-[[(e,1s)-3-(benzenesulfonyl)-1-(2-phenylethyl)allyl]carbamoyl]-4-guanidino-butyl]-4-methyl-piperazine-1-carboxamide
Molecular Mass 583.745 g·mol−1
Heat of Formation -456.0 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 705.41 Å 3
Surface Area 579.31 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey QLVPCZICLZOVOF-GQCXWPLSSA-N
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