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

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Formula C30H32N2O8
IUPAC Name (2s)-2-(2-carboxyethyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 548.584 g·mol−1
Heat of Formation -1160.5 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 644.15 Å 3
Surface Area 524.97 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey HEOWDABLEHTSBE-QHCPKHFHSA-N
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