1,1-Dimethylethyl (2R,3R)-2-hydroxy-3-[[(1R)-1-phenylethyl](phenylmethyl)amino]butanoate
Basic information
- CAS
161453-10-7- Standard SMILES
C[C@H](c1ccccc1)N(Cc1ccccc1)[C@H](C)[C@@H](O)C(=O)OC(C)(C)C- InChIKey
JRBPZDZFCLSTDV-DBXWQHBBSA-N- Molecular formula
- C23H31NO3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.23039385
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (2R,3R)-2-hydroxy-3-[[(1R)-1-phenylethyl](phenylmethyl)amino]butanoate
- IUPAC
- tert-butyl (2R,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-hydroxybutanoate
Names & synonyms
161453-10-71,1-Dimethylethyl (2R,3R)-2-hydroxy-3-[[(1R)-1-phenylethyl](phenylmethyl)amino]butanoate1,1-Dimethylethyl (2R,3R)-2-hydroxy-3-(((1R)-1-phenylethyl)(phenylmethyl)amino)butanoateRefChem:213791DTXSID101123543tert-butyl (2R,3R)-3-{benzyl[(1R)-1-phenylethyl]amino}-2-hydroxybutanoate
Database identifiers
- CAS
161453-10-7- PubChem CID
- 9999176
- DTXSID
DTXSID101123543- Nikkaji
- J603.529I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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