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

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Formula C29H36N2O7
IUPAC Name (2s)-2-(2-carboxyethyl)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 524.605 g·mol−1
Heat of Formation -1193.8 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 631.06 Å 3
Surface Area 509.31 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey ALUOBRJTVMRLRL-QFIPXVFZSA-N
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