(4Ar,6S,7R,7As)-6-Hydroxy-2-Methyl-7-({[(Sulfamoylacetyl)Amino]Oxy}Carbonyl)-2,4A,5,6,7,7A-Hexahydro-1H-Cyclopenta[C]Pyridine-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H20N4O7S
IUPAC Name [(2-sulfamoylacetyl)amino] (4ar,6s,7r,7as)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
Molecular Mass 376.386 g·mol−1
Heat of Formation -1022.2 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 406.26 Å 3
Surface Area 361.55 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2-sulfamoylethanoylamino) (4ar,6s,7r,7as)-4-aminocarbonyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
  • (4ar,6s,7r,7as)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydro-2-pyrindine-7-carboxylic acid [(2-sulfamoylacetyl)amino] ester
  • (4ar,6s,7r,7as)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylic acid [(1-oxo-2-sulfamoylethyl)amino] ester
  • 1h-2-pyrindine-7-carboxylic acid, 2,4a,5,6,7,7a-hexahydro-4-(aminocarbonyl)-7-(((aminosulfonyl)acetyl)amino)-6-hydroxy-2-methyl-, (4ar-(4a-alpha,6-beta,7-beta,7a-alpha))-
  • artemicidin
  • artemicidine
CAS Number(s)
  • 125399-82-8
InChIKey FIVJGKCWTLGNQR-VFYMIVFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N