(3S,6S,7S,9As)-6-{[(2S)-2-Aminobutanoyl]Amino}-N-(Diphenylmethyl)-7-(Hydroxymethyl)-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C28H36N4O4 |
IUPAC Name | (3s,6s,7s,9as)-6-[[(2s)-2-aminobutanoyl]amino]-n-benzhydryl-7-(hydroxymethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide |
Molecular Mass | 492.610 g·mol−1 |
Heat of Formation | -623.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.87 ± 1.08 D |
Volume | 607.2 Å 3 |
Surface Area | 450.81 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | 2.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | WXYVFFGXHFXTLU-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 |