(1S,3S,11R,14S)-14-(Hydroxymethyl)-3-(3-{[(2S,5S)-5-(Hydroxymethyl)-1,4-Dimethyl-2,5-Bis(Methylsulfanyl)-3,6-Dioxo-2-Piperazinyl]Methyl}-1H-Indol-1-Yl)-18-Methyl-15,16-Dithia-10,12,18-Triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]Octadeca-4,6,8-Triene-13,17-Dione
Properties
Property | Value |
---|---|
Formula | C33H36N6O6S4 |
IUPAC Name | (1s,3s,11r,14s)-14-(hydroxymethyl)-3-(3-{[(2s,5s)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxo-2-piperazinyl]methyl}-1h-indol-1-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0 1,12 .0 3,11 .0 4,9 ]octadeca-4,6,8-triene-13,17-dione |
Molecular Mass | 740.936 g·mol−1 |
Heat of Formation | -611.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.50 ± 1.08 D |
Volume | 798.8 Å 3 |
Surface Area | 557.86 Å 2 |
HOMO Energy | -8.36 ± 0.55 eV |
LUMO Energy | 1.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | DNXUJPNYOCDWFN-ZIBPZDQUSA-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 |