(3S,6S,7R,9As)-6-{[(2S)-2-Aminobutanoyl]Amino}-7-(Aminomethyl)-N-(Diphenylmethyl)-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C28H37N5O3 |
| IUPAC Name | (3s,6s,7r,9as)-6-[[(2s)-2-aminobutanoyl]amino]-7-(aminomethyl)-n-benzhydryl-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide |
| Molecular Mass | 491.625 g·mol−1 |
| Heat of Formation | -403.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.52 ± 1.08 D |
| Volume | 620.25 Å 3 |
| Surface Area | 474.32 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XXJHZERDDCOFPK-FCRIMTMASA-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 |