(3S,10As)-2-[(2S)-2-Cyclohexyl-2-{[(2S)-2-(Methylamino)Butanoyl]Amino}Acetyl]-N-[(4R)-3,4-Dihydro-2H-Chromen-4-Yl]-1,2,3,4,10,10A-Hexahydropyrazino[1,2-A]Indole-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C34H45N5O4 |
IUPAC Name | (3s,5s,10as)-n-[(4r)-chroman-4-yl]-2-[(2s)-2-cyclohexyl-2-[[(2s)-2-(methylamino)butanoyl]amino]acetyl]-3,4,10,10a-tetrahydro-1h-pyrazino[1,2-a]indole-3-carboxamide |
Molecular Mass | 587.752 g·mol−1 |
Heat of Formation | -592.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.54 ± 1.08 D |
Volume | 730.21 Å 3 |
Surface Area | 559.05 Å 2 |
HOMO Energy | -8.34 ± 0.55 eV |
LUMO Energy | 0.17 ± eV |
Point Group Symmetry | C1 |
InChIKey | TYXHMZBEDPKUQY-HDFVOGAFSA-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 |