(3S,8Ar)-2-{(2S)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)Amino]Acetyl}-N-[(4R)-3,4-Dihydro-2H-Chromen-4-Yl]Octahydropyrrolo[1,2-A]Pyrazine-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C29H43N5O4 |
IUPAC Name | (3s,5r,8ar)-n-[(4r)-chroman-4-yl]-2-[(2s)-2-cyclohexyl-2-[[(2s)-2-(methylamino)propanoyl]amino]acetyl]-3,4,6,7,8,8a-hexahydro-1h-pyrrolo[1,2-a]pyrazine-3-carboxamide |
Molecular Mass | 525.683 g·mol−1 |
Heat of Formation | -701.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.73 ± 1.08 D |
Volume | 657.79 Å 3 |
Surface Area | 523.36 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | 0.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | GIAUJOMDUOPYLU-XFCBJTKFSA-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 |