(2S)-2-(2-Carboxyethyl)-6-{[{2-[(2-Furylmethyl)Carbamoyl]Benzyl}(Methyl)Amino]Methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

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Formula C27H28N2O8
IUPAC Name (2s)-2-(2-carboxyethyl)-6-[[[2-(2-furylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 508.520 g·mol−1
Heat of Formation -1108.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 589.23 Å 3
Surface Area 479.06 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey AXAHDWKRRRPCME-FQEVSTJZSA-N
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