 |
| Ligand Name: BIAPENEM |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB251 |
PubChem:
71340
|
Synonym(s):
- schembl2781768
- schembl15745949
- zinc3784073
- (4r,5s,6s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- 410b244
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL423669 |
| Canonical SMILES: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O |
| Standard InChI: InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/p+1/t7-,8-,10-,11-/m1/s1 |
| Molecular Formula: C15H19N4O4S+ |
Mol. Weight: 351.11215 |
logP: -0.5603 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 4 | TPSA: 99.54 |