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| Ligand Name: cephaloridine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB631 |
PubChem:
5774
|
Synonym(s):
- dtxsid90894793
- zinc3202703
- (6r,7r)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 1-[[(6r)-2-carboxy-8-oxo-7alpha-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium
- 13057-93-7
- pyridinium, 1-[[2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, (6r-trans)-
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OC(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12 |
| Standard InChI: InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/p+1/t15-,18-/m1/s1 |
| Molecular Formula: C19H18N3O4S2+ |
Mol. Weight: 416.07333 |
logP: 1.0169 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 90.59 |