Basic information
- Standard SMILES
CSc1ncn2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12- InChIKey
LIKNMGXVDFUIMA-AMDBMLIDSA-N- Molecular formula
- C16H17N3O4S2
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- (1s,5r,6s)-6-((1r)-1-Hydroxyethyl)-1-methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylic acid
- IUPAC
- (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL6770488LIKNMGXVDFUIMA-AMDBMLIDSA-N(1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylic acid
Database identifiers
- PubChem CID
- 11245938
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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