N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-Dihydroxy-2,6-Dimethyl-4-Heptanyl]Amino}-4-[(R)-Methylsulfinyl]-1-Oxo-2-Butanyl}Amino)-3-Methyl-1-Oxo-2-Butanyl]Hexanamide
Properties
Property | Value |
---|---|
Formula | C25H49N3O6S |
IUPAC Name | n-[(1s)-1-[[(1s)-1-[[(1s,2s,3r)-2,4-dihydroxy-1-isobutyl-3-methyl-butyl]carbamoyl]-3-[(r)-methylsulfinyl]propyl]carbamoyl]-2-methyl-propyl]hexanamide |
Molecular Mass | 519.738 g·mol−1 |
Heat of Formation | -1469.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.73 ± 1.08 D |
Volume | 677.76 Å 3 |
Surface Area | 553.4 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | 0.59 ± eV |
Point Group Symmetry | C1 |
InChIKey | LBVOFIKOXKWSTC-WFKZTUFRSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |