Basic information
- Standard SMILES
Nc1nc(C(=NOCCCl)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nncs4)CS[C@H]23)cs1- InChIKey
GVSXZBILHJCZFJ-LNUXAPHWSA-N- Molecular formula
- C17H16ClN7O5S4
- Average molar mass
- 562.1 g/mol
- Monoisotopic mass
- 560.978429
Names & identifiers
- Preferred name
- 7-[2-(2-Aminothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-chloroethoxyimino)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
GVSXZBILHJCZFJ-LNUXAPHWSA-N7-[2-(2-aminothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715329
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 280 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 896
Related reactions
1 records
Compound notes
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