Cephalosporin C calciumsalt

Compound Identifiers & Properties

PubChem CID

101825637

SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N=C(CCCC(C(=O)[O-])N)[O-])SC1)C(=O)O.[Ca+2]

Canonical SMILES

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C([O-])CCCC(N)C(=O)[O-])[C@H]2SC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1.[Ca+2]