(2S)-1-[(2S)-2-{[(1S)-1-Carboxy-3-Phenylpropyl]Amino}Propanoyl]Octahydro-1H-Indole-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H30N2O5 |
| IUPAC Name | (2s,3ar,7ar)-1-[(2s)-2-[[(1s)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
| Molecular Mass | 402.484 g·mol−1 |
| Heat of Formation | -953.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.60 ± 1.08 D |
| Volume | 493.78 Å 3 |
| Surface Area | 396.89 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | 0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AHYHTSYNOHNUSH-YYTXDEJISA-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 |