(2Z)-4-(2-{[2-(β-Alanylamino)-1-(3,4,5-Trihydroxyphenyl)Ethyl]Amino}Phenyl)-2-Iminobutanoic Acid

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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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