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| Ligand Name: Methicillin |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB352 |
PubChem:
23278031
|
Synonym(s):
- methicillin(1-)
- methicillin sodium
- dimocillin
- metacillin
- meticillin sodium
- chembl1164
- sodium 6beta-(2,6-dimethoxybenzamido)penicillanate
- sodium 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate
- sodium (2s,5r,6r)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- chebi:52064
- bdbm50130829
- ncgc00178877-01
- ncgc00178877-05
- 6beta-(2,6-dimethoxybenzamido)penicillanate
- ab00053496_04
- q27123141
- 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate
- (2s,5r,6r)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
show 17 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1cccc(OC)c1C(=O)N[C@H](C2=O)[C@H](N23)SC(C)(C)[C@@H]3C([O-])=O |
| Standard InChI: InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/p-1/t11-,12+,15-/m1/s1 |
| Molecular Formula: C17H19N2O6S- |
Mol. Weight: 379.09692 |
logP: -0.3856 |
| HBD: 1 | HBA: 7 |
| #Rotatable Bonds: 5 | TPSA: 108.0 |