(2R)-3-({(2S)-1-[(2S,3Ar,5S,6S,7As)-2-({2-[1-(Diaminomethylene)-2,5-Dihydro-1H-Pyrrolium-3-Yl]Ethyl}Carbamoyl)-5,6-Dihydroxyoctahydro-1H-Indol-1-Yl]-3-Methyl-1-Oxo-2-Butanyl}Amino)-2-Methoxy-3-Oxopropyl Sulfate
Properties
Property | Value |
---|---|
Formula | C25H42N6O10S |
IUPAC Name | [(2r)-3-[[(1s)-1-[(2s,3ar,5s,6s,7as)-2-[2-[1-(diaminomethylene)-2,5-dihydropyrrol-1-ium-3-yl]ethylcarbamoyl]-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-2-methyl-propyl]amino]-2-methoxy-3-oxo-propyl] sulfate |
Molecular Mass | 618.700 g·mol−1 |
Heat of Formation | -1763.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 35.70 ± 1.08 D |
Volume | 700.29 Å 3 |
Surface Area | 485.28 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -1.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | IDIGNXIFMDXCKQ-XYIAWKELSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |