(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-[4-[methyl(methylcarbamoyl)amino]-4-oxobutan-2-yl]oxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic information
- Standard SMILES
CNC(=O)N(C)C(=O)CC(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1ccco1- InChIKey
CIBOTXSKFQUATC-CBGMUHSDSA-N- Molecular formula
- C23H27N5O10S
- Average molar mass
- 565.6 g/mol
- Monoisotopic mass
- 565.14786325
Names & identifiers
- Preferred name
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-[4-[methyl(methylcarbamoyl)amino]-4-oxobutan-2-yl]oxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-[4-[methyl(methylcarbamoyl)amino]-4-oxobutan-2-yl]oxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL11464908
Database identifiers
- PubChem CID
- 22811331
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 222 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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