4-({[(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-2-Carboxy-5-Oxido-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}Sulfanyl)-1-Methylpyridinium

Molecule SVG Image

Properties Simple | Detailed

Formula C23H27N6O8S3
IUPAC Name (5r,6r,7r)-7-[[(2z)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[(1-methylpyridin-4-id-4-yl)sulfanylmethyl]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 611.691 g·mol−1
Heat of Formation -709.2 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 656.59 Å 3
Surface Area 525.15 Å 2
Point Group Symmetry C1
InChIKey HCCFUFNFJIUPHS-CWAVGKLXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N