Benzyl-L-norleucine methyl ester hydrochloride
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Benzyl-L-norleucine methyl ester hydrochloride

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Category
L-Amino Acids
Catalog number
BAT-007909
CAS number
1122017-35-9
Molecular Formula
C14H21NO2·HCl
Molecular Weight
271.78
Benzyl-L-norleucine methyl ester hydrochloride
IUPAC Name
methyl (2S)-2-(benzylamino)hexanoate;hydrochloride
Synonyms
Bzl-L-Nle-OMe HCl; Benzyl-L-2-aminohexanoic acid methyl ester HCl; BZL-NLE-OME HCl; (S)-Methyl 2-(benzylamino)hexanoate hydrochloride; N-benzyl-L-norleucine methyl ester HCl salt; N-alpha-Benzyl-L-norleucine methyl ester hydrochloride; BZL NLE OME HCl; Bzl L Nle OMe HCl
Appearance
White powder with clumps
Purity
≥ 97% (TLC)
Storage
Store at 2-8 °C
InChI
InChI=1S/C14H21NO2.ClH/c1-3-4-10-13(14(16)17-2)15-11-12-8-6-5-7-9-12;/h5-9,13,15H,3-4,10-11H2,1-2H3;1H/t13-;/m0./s1
InChI Key
LGMPSIGGKFVSDE-ZOWNYOTGSA-N
Canonical SMILES
CCCCC(C(=O)OC)NCC1=CC=CC=C1.Cl
1. l-Serine methyl ester hydro-chloride
Arie Schouten, Martin Lutz Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 7;65(Pt 12):o3026. doi: 10.1107/S1600536809046480.
In the enanti-opure crystal of the title compound, C(4)H(10)NO(3) (+)·Cl(-), inter-molecular O-H⋯Cl and N-H⋯Cl hydrogen bonds link the mol-ecules into layers parallel to (001).
2. L-histidine methyl ester dihydrochloride
V H Vilchiz, R E Norman, S C Chang Acta Crystallogr C. 1996 Mar 15;52 ( Pt 3):696-8. doi: 10.1107/s0108270195013308.
The title compound, C7H13N3O2(2+).2Cl-, has distances and angles quite similar to those of histidine hydrochloride monohydrate [Donohue & Caron (1964). Acta Cryst. 17, 1178-1180], except for the distances within the ester functionality.
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