Basic information
- Standard SMILES
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)CC(C)=O)CS[C@H]12)c1nsc(N)n1- InChIKey
FWLWZXFCIOTXFT-HAFUCTGKSA-N- Molecular formula
- C17H18N6O8S2
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.0627539
Names & identifiers
- Preferred name
- (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL9121308
Database identifiers
- PubChem CID
- 88417261
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 940
Related reactions
4 records
Compound notes
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