Ligand |
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| Ligand Name: 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1196 | PubChem: 5289084 | |
Synonym(s):
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| DrugBank: DB03187 | ChEMBL: CHEMBL1235026 | |
| Canonical SMILES: NCSCC[C@H](CCCCC(O)=O)SSCCO | ||
| Standard InChI: InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1 | ||
| Molecular Formula: C11H23NO3S3 | Mol. Weight: 313.084 | logP: 2.4132 |
| HBD: 3 | HBA: 6 | |
| #Rotatable Bonds: 13 | TPSA: 83.55 | |