(2S)-2-[(2S,3R)-10-{[(4-Fluorophenyl)Sulfonyl]Amino}-3-Methyl-2-[(Methyl{[4-(Trifluoromethyl)Phenyl]Carbamoyl}Amino)Methyl]-6-Oxo-3,4-Dihydro-2H-1,5-Benzoxazocin-5(6H)-Yl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H30F4N4O7S |
| IUPAC Name | (2s)-2-[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5-yl]propanoic acid |
| Molecular Mass | 666.640 g·mol−1 |
| Heat of Formation | -1854.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 715.81 Å 3 |
| Surface Area | 545.0 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XAEPMFMCFFIZDH-FUMQJTLXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |