Basic information
- Standard SMILES
CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)(C)C)cc2)cc1- InChIKey
AIWULFISDKYDSQ-UHFFFAOYSA-N- Molecular formula
- C27H32N2O5
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.23112213
Names & identifiers
- Preferred name
- 2-[4'-(4-tert-Butoxycarbonylamino-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-2-methyl-propionic acid ethyl ester
- IUPAC
- ethyl 2-methyl-2-[4-[4-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]propanoate
Names & synonyms
SCHEMBL4489AIWULFISDKYDSQ-UHFFFAOYSA-N2-[4'-(4-tert-Butoxycarbonylamino-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-2-methyl-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 66577698
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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