N~2~-[(3-Chloro-4-Methoxyphenyl)Sulfonyl]-N-(4-Cyanobenzyl)-L-Asparaginyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C32H34Cl2N6O6S
IUPAC Name (2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2s)-2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxamide
Molecular Mass 701.620 g·mol−1
Heat of Formation -771.2 ± 16.7 kJ·mol−1
Dipole Moment 10.38 ± 1.08 D
Volume 784.8 Å 3
Surface Area 601.21 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey MSHHPYQVXLZTQG-NSOVKSMOSA-N
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