(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid

HCID 7021178CAS 90731-57-0

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

Related reactions

6 records

Linked notes

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