Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cc4ccccn4c3)CS[C@H]12)c1csc(N)n1- InChIKey
LCOJEOHXDQUGGT-SAKAIADUSA-N- Molecular formula
- C21H19N7O5S2
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL9691622
Database identifiers
- PubChem CID
- 5487130
- Nikkaji
- J445.148A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 957
Related reactions
1 records
Compound notes
Loading…