Basic information
- Standard SMILES
Cc1ccc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cc4ccc(CNC(=O)OC(C)(C)C)s4)[C@H]3SC2)n[n+]1[O-]- InChIKey
GNJOBMBHFDWUHA-DENIHFKCSA-N- Molecular formula
- C25H29N5O7S3
- Average molar mass
- 607.7 g/mol
- Monoisotopic mass
- 607.1229118
Names & identifiers
- Preferred name
- 7beta-[2-(5-Tert.-butoxycarbonylaminomethyl-2-thienyl)-acetylamino]-3-[(6-methyl-1-oxido-pyridazin-3-yl-thio)-methyl]-ceph-3-em-4-carboxylic acid
- IUPAC
- (6R,7R)-3-[(6-methyl-1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-7-[[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL11691462GNJOBMBHFDWUHA-DENIHFKCSA-N7beta-[2-(5-tert.-butoxycarbonylaminomethyl-2-thienyl)-acetylamino]-3-[(6-methyl-1-oxido-pyridazin-3-yl-thio)-methyl]-ceph-3-em-4-carboxylic acid
Database identifiers
- PubChem CID
- 70635488
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
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