(3S,6S,7R,9As)-6-{[(2S)-2-Aminobutanoyl]Amino}-7-(2-Aminoethyl)-N-(Diphenylmethyl)-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C29H39N5O3 |
| IUPAC Name | (3s,6s,7r,9as)-6-[[(2s)-2-aminobutanoyl]amino]-7-(2-aminoethyl)-n-benzhydryl-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide |
| Molecular Mass | 505.652 g·mol−1 |
| Heat of Formation | -448.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.62 ± 1.08 D |
| Volume | 644.22 Å 3 |
| Surface Area | 479.86 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KQHWCFZCUNTTCW-VEGWMBEDSA-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 |