Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(NC=O)n1- InChIKey
KEHVOBPIKXWJNJ-FBMWCMRBSA-N- Molecular formula
- C21H26N6O8S2
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- 7-[2-(2-Formamidothiazol-4-yl)-2-(3-tert-butoxycarbonylaminopropoxyimino)acetamido]-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
KEHVOBPIKXWJNJ-FBMWCMRBSA-N7-[2-(2-formamidothiazol-4-yl)-2-(3-tert-butoxycarbonylaminopropoxyimino)acetamido]-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131712349
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 985
Related reactions
4 records
Compound notes
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