O-Carbamoyl-deacetylcephalosporin C

(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Antibiotic WS 3442B|O-Carbamoyl-deacetylcephalosporin C|Antibiotic A-16886A|KST-1A7318|(7-(5-Amino-5-carboxyvaleramido)-3-carbamoyloxymethyl-3-cephem-4-carboxylic acid)|(6r,7r)-7-{[(5r)-5-amino-5-carboxypentanoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(5R)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(5R)-5-Amino-5-carboxy-1-hydroxypentylidene]amino}-3-{[hydroxy(imino)methoxy]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, 3-(((aminocarbonyl)oxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-|7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-{[hydroxy(imino)methoxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C15H20N4O8S
Molecular Weight	416.1002 g/mol
LogP	-5.0
Topological Polar Surface Area	228.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	416.1002
Monoisotopic Mass	416.1002
Heavy Atoms	28
Complexity	740.0

Chemical Identifiers

CAS Number	6641-34-5
SMILES	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)C(=O)O)COC(=O)N
InChIKey	LSRDVUINCBDNAZ-JWKOBGCHSA-N