(3S,6S,7R,9As)-7-[2-(Benzylamino)Ethyl]-N-(Diphenylmethyl)-6-{[(2S)-2-(Methylamino)Butanoyl]Amino}-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C37H47N5O3 |
| IUPAC Name | (3s,6s,7r,9as)-n-benzhydryl-7-[2-(benzylamino)ethyl]-6-[[(2s)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide |
| Molecular Mass | 609.801 g·mol−1 |
| Heat of Formation | -315.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.14 ± 1.08 D |
| Volume | 785.83 Å 3 |
| Surface Area | 626.42 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | -0.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NVNDSZWHCFDEAR-UCDLYESDSA-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 |