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

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Properties Simple | Detailed

Formula C26H32N2O7
IUPAC Name (2s)-2-(2-carboxyethyl)-6-[[methyl-[[2-[[(1s)-1-methylpropyl]carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 484.541 g·mol−1
Heat of Formation -1183.2 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 576.44 Å 3
Surface Area 460.45 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey AAXSGFNZEOGOMF-LPHOPBHVSA-N
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