 |
| Ligand Name: 6-beta-Iodopenicillanate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB564 |
PubChem:
121940
|
Synonym(s):
- 6-iodopenicillanic acid
- unii-dxm035it0f
- 6-beta-iodopenicillanic acid
- dxm035it0f
- (2s,5r,6r)-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 74772-32-0
- 6beta-iodopenicillanate
- uk-38,006
- 6alpha-iodopenicillanic acid
- schembl2276329
- dtxsid80996290
- 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-iodo-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-
- uk-38006
- q27276663
- 6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
show 14 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC1(C)S[C@@H]2[C@H](I)C(=O)N2[C@H]1C(O)=O |
| Standard InChI: InChI=1S/C8H10INO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 |
| Molecular Formula: C8H10INO3S |
Mol. Weight: 326.94263 |
logP: 0.9369 |
| HBD: 1 | HBA: 3 |
| #Rotatable Bonds: 1 | TPSA: 57.61 |