Formula |
C21H26N4O6 |
IUPAC Name |
4-[2-[[(1s)-2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-imino-butanoic acid |
Molecular Mass |
430.454 g·mol−1 |
Heat of Formation |
-905.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.40 ± 1.08 D |
Volume |
505.14 Å 3 |
Surface Area |
402.48 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RAHPRVPDZOYRGZ-GMPVXANTSA-N |
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Elements |
H
C
O
N
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