Basic information
- Standard SMILES
CCOC(=O)CSC1SCC2C(NC(=O)C(=NOC)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N2C1(O)C(=O)OC(C)(C)C- InChIKey
YNSDNTGYOAZNHN-UHFFFAOYSA-N- Molecular formula
- C40H43N5O8S3
- Average molar mass
- 818 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 7-[2-(2-tritylaminothiazol-4-yl)-2-methoxyimino-acetamido]-3--(ethoxycarbonylmethylthio)-2-hydroxy-8-oxo-4-thia-1-azabicyclo[4,2,0]octane-2-carboxylate
- IUPAC
- tert-butyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-hydroxy-7-[[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Names & synonyms
SCHEMBL8843982YNSDNTGYOAZNHN-UHFFFAOYSA-N1,1-dimethylethyl 7-[2-(2-tritylaminothiazol-4-yl)-2-methoxyimino-acetamido]-3- -(ethoxycarbonylmethylthio)-2-hydroxy-8-oxo-4-thia-1-azabicyclo[4,2,0]octane-2-carboxylate
Database identifiers
- PubChem CID
- 54517944
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
1 records
Compound notes
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