Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc4c(c3)OCC4)C(=O)N2c2ccc(F)cc2)cc1)NCC(=O)N[C@H](CC1CCCCC1)C(=O)O- InChIKey
SAXSBCDNWKMLJK-NNGRFPFTSA-N- Molecular formula
- C38H42FN3O8S
- Average molar mass
- 719.8 g/mol
Names & identifiers
- Preferred name
- (R)-3-Cyclohexyl-2-[2-(2-{4-[(2R,3R)-3-[2-(2,3-dihydro-benzofuran-6-yl)-2-hydroxy-ethylsulfanyl]-1-(4-fluoro-phenyl)-4-oxo-azetidin-2-yl]-phenoxy}-acetylamino)-acetylamino]-propionic acid
- IUPAC
- (2R)-3-cyclohexyl-2-[[2-[[2-[4-[(2R,3R)-3-[2-(2,3-dihydro-1-benzofuran-6-yl)-2-hydroxyethyl]sulfanyl-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]propanoic acid
Names & synonyms
SCHEMBL1184060SAXSBCDNWKMLJK-NNGRFPFTSA-N(R)-3-Cyclohexyl-2-[2-(2-{4-[(2R,3R)-3-[2-(2,3-dihydro-benzofuran-6-yl)-2-hydroxy-ethylsulfanyl]-1-(4-fluoro-phenyl)-4-oxo-azetidin-2-yl]-phenoxy}-acetylamino)-acetylamino]-propionic acid
Database identifiers
- PubChem CID
- 66934591
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
1 records
Compound notes
Loading…