Basic information
- Standard SMILES
CC(=O)OCC1=C(C(=O)OCOC(=O)C(N)C(C)C)N2C(=O)C(N)C2SC1- InChIKey
AGBKQNKTYUICNN-UHFFFAOYSA-N- Molecular formula
- C16H23N3O7S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.12567125
Names & identifiers
- Preferred name
- 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-amino-3-methylbutyryloxymethyl ester
- IUPAC
- (2-amino-3-methylbutanoyl)oxymethyl 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL11625727AGBKQNKTYUICNN-UHFFFAOYSA-N3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo-[4.2.0]oct-2-ene-2-carboxylic acid 2-amino-3-methylbutyryloxymethyl ester3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-amino-3-methylbutyryloxymethyl ester
Database identifiers
- PubChem CID
- 53641069
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 679
Related reactions
7 records
Compound notes
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