(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |