4-(4-Amino-2,5-Cyclohexadien-1-Yl)-2-[(N-Methylisoleucyl)Amino]Butanoic Acid

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Formula C17H29N3O3
IUPAC Name (2s)-4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[(2s,3r)-3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
Molecular Mass 323.430 g·mol−1
Heat of Formation -541.8 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 428.3 Å 3
Surface Area 354.37 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
InChIKey ATAHFPOIIFBWFN-ZSAUSMIDSA-N
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