N-(2-Amino-3-Phenylpropanoyl)-1-(6-Carbamimidamido-1-Chloro-2-Oxo-3-Hexanyl)Prolinamide

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Properties Simple | Detailed

Formula C21H31ClN6O3
IUPAC Name (1s,2s)-n-[(2s)-2-amino-3-phenyl-propanoyl]-1-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
Molecular Mass 450.962 g·mol−1
Heat of Formation -481.9 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 543.33 Å 3
Surface Area 396.81 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
InChIKey BBLOJOHIPXAIRZ-ULQDDVLXSA-N
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Elements H C N O Cl