Basic information
- Standard SMILES
CCOC(=O)CSc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N)[C@H]3SC2)s1- InChIKey
LUEMVULDZJXARE-QHDYGNBISA-N- Molecular formula
- C14H16N4O5S4
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 7-Amino-3-(2-ethoxycarbonylmethylthio-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-amino-3-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL10876561LUEMVULDZJXARE-QHDYGNBISA-N7-amino-3-(2-ethoxycarbonylmethylthio-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid7-amino-3-[(2-ethoxycarbonylmethylthio-1,3,4-thiadiazol-5-yl)thiomethyl]-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 70463237
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
Loading…