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

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Formula C23H29N5O4S
IUPAC Name (2s)-1-[(2r)-2-(benzylsulfonylamino)propanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Molecular Mass 471.572 g·mol−1
Heat of Formation -497.1 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 558.84 Å 3
Surface Area 471.43 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey RXILOHGFTAPEST-UZLBHIALSA-N
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