(2S)-6-({(1R,2S)-2-[(5-Aminopentanoyl)Amino]-2,3-Dihydro-1H-Inden-1-Yl}Methyl)-2-(2-Carboxyethyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C27H32N2O7
IUPAC Name (2s)-6-[[(1r,2s)-2-(5-aminopentanoylamino)indan-1-yl]methyl]-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 496.552 g·mol−1
Heat of Formation -1184.9 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 589.08 Å 3
Surface Area 498.12 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey XXPDTTOFZJRAQQ-TYPHKJRUSA-N
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