L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
16652-75-8
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CAS Name
L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)Molecular Formula
C13H19NO2.C7H8O3SCite this Page
L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=16652-75-8 (retrieved ) (CAS RN: 16652-75-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
153-155 °C
Source(s)
Other Names and Identifiers
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
InChIKey
InChIKey=XAWVXTVKSVYPNE-JGAZGGJJSA-N
SMILES
C(OC([C@H]([C@H](CC)C)N)=O)C1=CC=CC=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(OCC=1C=CC=CC1)C(N)C(C)CC.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
- Isoleucine, benzyl ester, p-toluenesulfonate, L-
- L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate
- L-Isoleucine benzyl ester p-toluenesulfonate
- Isoleucine benzyl ester tosylate
Deleted or Replaced CAS Registry Numbers
51186-47-1
