Demethoxycefmetazole

(6R,7R)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Demethoxycefmetazole|(6R)-7alpha-[2-(Cyanomethylthio)acetylamino]-3-(1-methyl-1H-tetrazole-5-ylthiomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid|(6R,7R)-7-(2-((CYANOMETHYL)THIO)ACETAMIDO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|(6R,7R)-7-{2-[(cyanomethyl)sulfanyl]acetamido}-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{2-[(Cyanomethyl)sulfanyl]acetamido}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(cyanomethyl)thio]acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-|7beta-[[[(Cyanomethyl)thio]acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]cepham-3-ene-4-carboxylic acid

Molecular Formula	C14H15N7O4S3
Molecular Weight	441.03476 g/mol
LogP	-0.70242
Topological Polar Surface Area	154.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	441.03476
Monoisotopic Mass	441.03476
Heavy Atoms	28
Complexity	880.5311

Chemical Identifiers

CAS Number	55817-36-2
SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSCC#N)SC2)C(=O)O