4-[(2S)-2-Acetamido-3-{[(5S)-3-Carbamoyl-2-(Cyclohexylmethoxy)-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-5-Yl]Amino}-3-Oxopropyl]-2-Formylbenzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C32H39N3O7 |
| IUPAC Name | 4-[(2s)-2-acetamido-3-[[(5s)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]amino]-3-oxo-propyl]-2-formyl-benzoic acid |
| Molecular Mass | 577.668 g·mol−1 |
| Heat of Formation | -1296.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.60 ± 1.08 D |
| Volume | 683.99 Å 3 |
| Surface Area | 496.92 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -1.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MXUORUPLQRGMFJ-NSOVKSMOSA-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 |