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Basic information
- Standard SMILES
NC(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CS[C@H]12)c1ccc(O)cc1- InChIKey
UOCJDOLVGGIYIQ-QQGYXAEISA-N- Molecular formula
- C18H18N6O5S2
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.07801004
Names & identifiers
- Preferred name
- (6R,7R)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL1650588SCHEMBL28000091AKOS015896052
Database identifiers
- PubChem CID
- 40073
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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