L-Isoleucine benzyl ester 4-toluenesulfonate salt
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L-Isoleucine benzyl ester 4-toluenesulfonate salt

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Category
L-Amino Acids
Catalog number
BAT-003985
CAS number
16652-75-8
Molecular Formula
C13H19NO2·C7H8O3S
Molecular Weight
393.50
L-Isoleucine benzyl ester 4-toluenesulfonate salt
IUPAC Name
benzyl (2S,3S)-2-amino-3-methylpentanoate;4-methylbenzenesulfonic acid
Synonyms
L-Ile-OBzl TosOH; L-isoleucine benzyl ester p-toluenesulfonate salt; H-Ile-Obzl Tos; isoleucine benzyl ester toluene-p-sulphonate; L-Isoleucin-benzylester-p-toluolsulfonat; H-ILE-OBZL P-TOSYLATE
Appearance
White powder
Purity
≥ 98% (HPLC)
Density
g/cm3
Melting Point
153-155 °C
Boiling Point
545.1 °C at 760 mmHg
Storage
Store at 2-8 °C
InChI
InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1
InChI Key
XAWVXTVKSVYPNE-JGAZGGJJSA-N
Canonical SMILES
CCC(C)C(C(=O)OCC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O
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