L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
1738-78-9
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CAS Name
L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)Molecular Formula
C16H17NO2.C7H8O3SCite this Page
L-Phenylalanine, 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=1738-78-9 (retrieved ) (CAS RN: 1738-78-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
170.5-171.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m0./s1
InChIKey
InChIKey=ZLZGBBIPWXUQST-RSAXXLAASA-N
SMILES
C([C@@H](C(OCC1=CC=CC=C1)=O)N)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(OCC=1C=CC=CC1)C(N)CC=2C=CC=CC2.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
- Alanine, phenyl-, benzyl ester, p-toluenesulfonate, L-
- L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate
- Alanine, phenyl-, benzyl ester, p-toluenesulfonate
- L-Phenylalanine benzyl ester p-toluenesulfonate
