Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-
Basic information
- CAS
75373-03-4- Standard SMILES
C[n+]1ccc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c4csc(N)n4)[C@H]3SC2)cc1- InChIKey
YBOZRKGGVSIGHV-USLAGGSUSA-N- Molecular formula
- C21H20N6O7S3
- Average molar mass
- 564.6 g/mol
- Monoisotopic mass
- 564.05556052
Names & identifiers
- Preferred name
- Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-
- IUPAC
- (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
75373-03-4Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-RefChem:1097457
Database identifiers
- CAS
75373-03-4- PubChem CID
- 9588293
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 270 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 998
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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