Basic information
- Standard SMILES
C[C@@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
XFSLNPBJZAPTMM-JQWIXIFHSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid
- IUPAC
- (2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
Names & synonyms
90731-57-0(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid115132-19-9N-BOC-ERYTHRO-L-BETA-METHYLPHENYLALANINE(2r, 3r)/(2s, 3s)-racemic-boc-beta-methyl-phenylalanineMFCD00800584(2S,3S)-N-Boc-2-Amino-3-phenylbutyric acid(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid(2S,3S)-2-(Boc-amino)-3-phenylbutanoic Acid(2S,3S)-2-(tert-butoxycarbonylamino)-3-phenyl-butanoic acid(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylbutanoic acid(betaS)-N-[(1,1-Dimethylethoxy)carbonyl]-beta-methyl-L-phenylalanine
Show more names
MFCD01456490(2S,3S)-Boc-b-methyl-L-Phe-OH(2R,3R)/(2S,3S)-racemic-Boc-beta-methyl-phenylalanineSCHEMBL844407Boc-(2S,3S)--MePhe-OHXFSLNPBJZAPTMM-JQWIXIFHSA-N(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid;(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acidAKOS022186565
Database identifiers
- CAS
90731-57-0- PubChem CID
- 7021178
- Nikkaji
- J1.068.365C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
6 records
Linked notes
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