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| Ligand Name: (1S,5R)-2-{[(4R)-azepan-4-yl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1510 |
PubChem:
24855866
|
Synonym(s):
- chembl598365
- schembl3614838
- bdbm50309900
- mk 8712
- (1r,5s)-4-[[(4r)-azepan-4-yl]carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid
- (1s,5r)-2-((r)-azepan-4-ylcarbamoyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
- 1017574-88-7
- 2,6-diazabicyclo(3.2.0)heptane-6-sulfonic acid, 2-((((4s)-hexahydro-1h-azepin-4-yl)amino)carbonyl)-7-oxo-, (1s,5r)-
show 7 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL598365 |
| Canonical SMILES: OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |
| Standard InChI: InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9-,10+/m1/s1 |
| Molecular Formula: C12H20N4O5S |
Mol. Weight: 332.11545 |
logP: -1.074 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 2 | TPSA: 119.05 |