Formula |
C21H31ClN6O3 |
IUPAC Name |
(2s)-n-[(2r)-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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Links |
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Elements |
H
C
N
O
Cl
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