Formula |
C21H31ClN6O4 |
IUPAC Name |
(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide |
Molecular Mass |
466.962 g·mol−1 |
Heat of Formation |
-720.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.24 ± 1.08 D |
Volume |
551.71 Å 3 |
Surface Area |
404.32 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
2.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YHBCRLLVTTVQMA-ULQDDVLXSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
Cl
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