N-(Benzylsulfonyl)-3-Cyclohexyl-D-Alanyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide

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Properties Simple | Detailed

Formula C29H39N5O4S
IUPAC Name (2s)-1-[(2r)-2-(benzylsulfonylamino)-3-cyclohexyl-propanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Molecular Mass 553.716 g·mol−1
Heat of Formation -588.7 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 674.94 Å 3
Surface Area 543.07 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
InChIKey DJNNZKJZFCRFRX-FTJBHMTQSA-N
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