(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid

HCID 178915768CAS 145432-51-5
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Basic information

Standard SMILES
C[C@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey
XFSLNPBJZAPTMM-PWSUYJOCSA-N
Molecular formula
C15H21NO4
Average molar mass
279.33 g/mol

Names & identifiers

Preferred name
(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
IUPAC
(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
English name
(2S,3R)-N-Boc-2-amino-3-phenylbutyric acid, 95%, (98% e.e.)
Molecular formula
C15H21NO4
Molecular weight
279.33

Names & synonyms

145432-51-5(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acidMFCD02259713(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid(2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylbutanoic acid(2S,3R)-2-(tert-Butoxycarbonylamino)-3-phenylbutanoic acidL-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-beta-methyl-, (betaR)-(2S,3R)-N-BOC-2-AMINO-3-PHENYLBUTYRIC ACID, 95per cent, (98per cent E.E.)(2S,3R)-N-Boc-2-Amino-3-phenylbutyric acidSCHEMBL4116995XFSLNPBJZAPTMM-PWSUYJOCSA-N(betaR)-N-(tert-Butoxycarbonyl)-beta-methyl-L-phenylalanine
Show more names
(R)-N-Boc-b-methyl-L-phenylalanine(2S,3R)-2-Boc-3-phenylbutanoic acidN-BOC-threo-L-beta-methylphenylalanine(2S,3R)-N-BOC-beta-methylphenylalanine(2S,3R)-2-Boc-amino-3-phenyl-butyric acid(2R,3R)-N-BOC-2-Amino-3-phenyl-butyric Acid(βR)-N-(tert-butoxycarbonyl)-β-methyl-L-phenylalanine(2S,3R)-2-{（(tert-butoxy)carbonyl）amino}-3-phenylbutanoic(2S,3R)-N-Boc-2-amino-3-phenylbutyric acid, 95%, (98% e.e.)(2S,3R)-N-(Tert-Butoxy)Carbonyl 2-Amino-3-phenylbutyric acid
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-b-methyl-, (bR)-AKOS025116711AT10041AS-80312SY385250DB-215303CS-0136337(2S,3R)-2-(Boc-amino)-3-phenylbutanoic Acid

Database identifiers

CAS
145432-51-5
Nikkaji
J918.592E

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

Physicochemical properties

Boiling point
422.1 °C · 422.1°C (rough estimate)
Density
1.1083 · 1.1083 (rough estimate)
refractive index
1.513 · 1.5130 (estimate)
storage temp.
Store at room temperature
pka
3.9 · 3.90±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Uses(2R,3R)-N-BOC-2-Amino-3-phenyl-butyric Acid is a reagent used for preparation of petide HTI-286 analogs, which potential anticancer properties.

Upstream & downstream products

Suppliers24 total

江苏生康迈翔科技有限公司18217475093 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

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