(2S,5R,6R)-6-[[3-(Cyclohexyloxy)-1-oxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Basic information
- CAS
903505-40-8- Standard SMILES
CC(CC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)OC1CCCCC1- InChIKey
YVDLBPQPCLFULU-ZUWHDZRZSA-N- Molecular formula
- C18H28N2O5S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.17189317
Names & identifiers
- Preferred name
- (2S,5R,6R)-6-[[3-(Cyclohexyloxy)-1-oxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R,6R)-6-(3-cyclohexyloxybutanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
DTXSID401104762(2S,5R,6R)-6-[[3-(Cyclohexyloxy)-1-oxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid903505-40-8
Database identifiers
- CAS
903505-40-8- PubChem CID
- 165367015
- DTXSID
DTXSID401104762
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 590
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…