N-(4-Carbamimidoylbenzoyl)-β-Alanyl-L-Alpha-Aspartyl-L-Valine

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Formula C20H27N5O7
IUPAC Name (2s)-2-[[(2s)-2-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-3-carboxy-propanoyl]amino]-3-methyl-butanoic acid
Molecular Mass 449.458 g·mol−1
Heat of Formation -1242.2 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 548.4 Å 3
Surface Area 430.9 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey RRUJJOMANFUDEN-BBRMVZONSA-N
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