O-(Ethenylsulfonyl)-L-tyrosine - CAS 1213253-84-9

Catalog:	BB066317
Product Name:	O-(Ethenylsulfonyl)-L-tyrosine
CAS:	1213253-84-9
Synonyms:	(S)-2-Amino-3-(4-((vinylsulfonyl)oxy)phenyl)propanoic acid; (2S)-2-amino-3-(4-ethenylsulfonyloxyphenyl)propanoic acid; (S)-2-Amino-3-(4-((vinylsulfonyl)oxy)phenyl)propanoicacid

Technical Data

IUPAC Name:	(2S)-2-amino-3-(4-ethenylsulfonyloxyphenyl)propanoic acid
Description:	O-(Ethenylsulfonyl)-L-tyrosine is a metabolite of L-Tyrosine (Levodopa EP Impurity B) which is one of the 22 proteinogenic amino acids that are used by cells to synthesize proteins. L-Tyrosine is biologically converted from L-phenylalanine and is in turn is converted to L-DOPA and further converted into the neurotransmitters: dopamine, norepinephrine, and epinephrine.
Molecular Weight:	271.29
Molecular Formula:	C11H13NO5S
Canonical SMILES:	C=CS(=O)(=O)OC1=CC=C(C=C1)CC(C(=O)O)N
InChI:	InChI=1S/C11H13NO5S/c1-2-18(15,16)17-9-5-3-8(4-6-9)7-10(12)11(13)14/h2-6,10H,1,7,12H2,(H,13,14)/t10-/m0/s1
InChI Key:	YXSAKURSUYVHRI-JTQLQIEISA-N
References:	Rasmussen D.D. et al. J. Clin. Endocrinol. Metab., 57, 760 (1983); Bagchi, S.P. et al. Biochem. Pharmacol., 26, 900 (1977).

Complexity:	392
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	271.05144369
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	271.05144369
Rotatable Bond Count:	6
Topological Polar Surface Area:	115Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1