1-(2-Amino-2-Oxoethyl)-4-[2-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-En-3-Yl}Sulfanyl)-1,3-Thiazol-4-Yl]Pyridinium

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21N4O5S2+
IUPAC Name (4r,5s,6s)-3-[[4-[1-(2-amino-2-oxoethyl)pyridin-1-ium-4-yl]-1,3-thiazol-2-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 461.535 g·mol−1
Heat of Formation -439.4 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 528.68 Å 3
Surface Area 403.64 Å 2
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s)-3-[4-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-4-yl]thiazol-2-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[[4-[1-(2-amino-2-keto-ethyl)pyridin-1-ium-4-yl]thiazol-2-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[[4-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-4-yl]-1,3-thiazol-2-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-3-[[4-[1-(2-amino-2-oxoethyl)-4-pyridin-1-iumyl]-2-thiazolyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey RRTBMNWYYYTAEH-XEQNPHJVSA-O
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