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Structure

Boc-O-benzyl-L-beta-homotyrosine

CAS
126825-16-9
Catalog Number
ACM126825169-1
Category
Amino Acids
Molecular Weight
385.5
Molecular Formula
C22H27NO5

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Specification

Description
(S)-4-(4-(Benzyloxy)phenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, commonly known as Boc-4-(benzyloxy)phenylalanine, is an amino acid derivative used in the synthesis of peptides and proteins. It is an unnatural amino acid that has a bulky tert-butoxycarbonyl (Boc) protecting group on the amino group and a benzyloxy group on the side chain.
Synonyms
(S)-4-(4-(Benzyloxy)phenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, Boc-beta-Homotyr(Bzl)-OH, Boc-L-beta-homotyrosine(OBzl), Boc-L-beta-HTyr(Bzl)-OH, (S)-4-(4-(Benzyloxy)phenyl)-3-((tert-butoxycarbonyl)amino)butanoicacid, Boc-O-benzyl-L-beta-homotyrosine, (3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]butanoicacid
IUPAC Name
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic acid
Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CC(=O)O
InChI
1S/C22H27NO5/c1-22(2,3)28-21(26)23-18(14-20(24)25)13-16-9-11-19(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChI Key
HTZSKDKNNZPVMJ-SFHVURJKSA-N
Boiling Point
567.7ºC at 760 mmHg
Flash Point
297.1ºC
Density
1.168 g/cm3
Application
Boc-4-(benzyloxy)phenylalanine is commonly used in the synthesis of peptides and proteins and is also used as a tool for studying enzyme activity.
Exact Mass
385.189
Functional Group
Boc
HS Code
2935 90 90
LogP
4.567
MDL Number
MFCD01862863
PSA
84.86
Refractive Index
1.557
Storage Temperature
4 ℃
Type
Unusual Amino Acids, β-amino acids
Vapor Pressure
1E-13mmHg at 25℃
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