Basic information
- Standard SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCN)c3csc(N)n3)[C@H]2SC1- InChIKey
TWAPTWFDXSDJRZ-WCRCJTMVSA-N- Molecular formula
- C15H18N6O5S2
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 7-[2-(2-Aminothiazol-4-yl)-2-(2-aminoethoxyimino)acetamido]-3-methyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-aminoethoxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
TWAPTWFDXSDJRZ-WCRCJTMVSA-N7-[2-(2-aminothiazol-4-yl)-2-(2-aminoethoxyimino)acetamido]-3-methyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715318
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 744
Related reactions
1 records
Compound notes
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