 |
| Ligand Name: cephalosporin C |
| Ligand Type: D-peptide linking |
| Ligand ID: COVPDB32 |
PubChem:
65536
|
Synonym(s):
- 61-24-5
- 7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
- unii-3xiy7hjt5l
- chebi:15776
- 3xiy7hjt5l
- (6r,7r)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxypentanoyl]amino}-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-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6r-(6alpha,7beta(r*)))-
- 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
- (6r,7r)-3-(acetyloxymethyl)-7-[[(5r)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 39879-21-5
- einecs 200-501-6
- brn 0065348
- cephalosporins
- cephalosporin c [inn:ban]
- cephalosporin c disodium salt
- einecs 254-669-0
- cephalosporin-c
- epitope id:116208
- schembl76583
- 4-27-00-05902 (beilstein handbook reference)
- chembl482858
- dtxsid90960427
- 11111-12-9
- zinc3977881
- einecs 234-341-3
- db03313
- sdccgsbi-0050269.p002
- 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5r)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6r,7r)-
- disodium (6r-(6alpha,7beta(r*)))-3-(acetoxymethyl)-7-((5-amino-5-carboxylato-1-oxopentyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
- c00916
- q5063335
- 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, disodium salt, (6r-(6alpha,7beta(r*)))-
show 31 synonym(s)
|
| DrugBank: DB03313 |
ChEMBL: CHEMBL482858 |
| Canonical SMILES: CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O |
| Standard InChI: InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1 |
| Molecular Formula: C16H21N3O8S |
Mol. Weight: 415.10495 |
logP: -1.1297 |
| HBD: 4 | HBA: 8 |
| #Rotatable Bonds: 9 | TPSA: 176.33 |