Basic information
- Standard SMILES
C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-].[Na+]- InChIKey
XIIHNEASLKGBGQ-PXPMWPIZSA-M- Molecular formula
- C23H28NNaO4
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.19160266
Names & identifiers
- Preferred name
- (2r,4s)-5-Biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid sodium salt
- IUPAC
- sodium (2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate
Names & synonyms
SCHEMBL1232352XIIHNEASLKGBGQ-PXPMWPIZSA-M(2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid sodium salt
Database identifiers
- PubChem CID
- 66958285
Properties
Computed structural properties
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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