(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Amino}-1-Oxo-2-Butanyl]-11-Methyl-2,4-Dodecadienamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H46N4O6
IUPAC Name (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]-11-methyl-dodeca-2,4-dienamide
Molecular Mass 534.688 g·mol−1
Heat of Formation -1178.1 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 689.3 Å 3
Surface Area 589.85 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-2,7-diketo-5-methyl-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]-11-methyl-dodeca-2,4-dienamide
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]-11-methyl-dodeca-2,4-dienamide
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-oxomethyl]propyl]-11-methyldodeca-2,4-dienamide
  • (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxo-butan-2-yl]-11-methyl-dodeca-2,4-dienamide
  • (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide
  • 2,4-dodecadienamide, n-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazabicyclododec-3-en-8-yl)amino)carbonyl)propyl)-11-methyl-, (5s-(3e,5r*,8r*(1r*(2e,4e),2s*),10r*))-
  • cepafungin i
CAS Number(s)
  • 130743-08-7
InChIKey SVHNVAFCZJDSIW-VBFMYEFXSA-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