Basic information
- Standard SMILES
CC(=O)OCC1=C(C(=O)OCc2ccc(OC(=O)C(C)(C)C)cc2)N2C(=O)C(N)C2SC1- InChIKey
MMFHMZBTDKGLQV-UHFFFAOYSA-N- Molecular formula
- C22H26N2O7S
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.14607235
Names & identifiers
- Preferred name
- 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-pivalyloxybenzyl ester
- IUPAC
- [4-(2,2-dimethylpropanoyloxy)phenyl]methyl 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL11623469MMFHMZBTDKGLQV-UHFFFAOYSA-N3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-pivalyloxybenzyl ester
Database identifiers
- PubChem CID
- 54079706
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 812
Related reactions
7 records
Compound notes
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