5-[(2S)-2-{[(4-Aminobutanoyl)Amino]Methyl}-4-Methylpentyl]-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C19H28N2O5
IUPAC Name 5-[(2s)-2-[(4-aminobutanoylamino)methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 364.436 g·mol−1
Heat of Formation -890.9 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 454.35 Å 3
Surface Area 392.23 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey RVKWMXPCIVFAJW-ZDUSSCGKSA-N
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