Basic information
- Standard SMILES
Nc1nc(/C(=N/OC2C=CCC2)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(SCc4cn[nH]c4)CS[C@H]23)c(Cl)s1- InChIKey
IJXXTMJPHNEZNO-UFYRBOOHSA-N- Molecular formula
- C34H30ClN7O5S3
- Average molar mass
- 748.3 g/mol
- Monoisotopic mass
- 747.1159083
Names & identifiers
- Preferred name
- benzhydryl (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-cyclopent-2-en-1-yloxyiminoacetyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-cyclopent-2-en-1-yloxyiminoacetyl]amino]-8-oxo-3-(1H-pyrazol-4-ylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL7766654
Database identifiers
- PubChem CID
- 88198442
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
4 records
Compound notes
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