CAS 22951-96-8 | 2-Thiophenepropanoic acid, α-amino-, (αS)- | CAS Number 22951-96-8

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 22951-96-8

22951-96-8 | 2-Thiophenepropanoic acid, α-amino-, (αS)-

CAS No: 22951-96-8 Catalog No: AG002LOH MDL No:MFCD00064335

Product Description

Catalog Number:

AG002LOH

Chemical Name:

2-Thiophenepropanoic acid, α-amino-, (αS)-

CAS Number:

22951-96-8

Molecular Formula:

C7H9NO2S

Molecular Weight:

171.2169

MDL Number:

MFCD00064335

IUPAC Name:

(2S)-2-amino-3-thiophen-2-ylpropanoic acid

InChI:

InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1

InChI Key:

WTOFYLAWDLQMBZ-LURJTMIESA-N

SMILES:

OC(=O)[C@H](Cc1cccs1)N

UNII:

2EMW41BM77

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.214g/mol

Monoisotopic Mass:

171.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis.	Current chemical genomics 20100101
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
2.0A resolution crystal structures of the ternary complexes of human phenylalanine hydroxylase catalytic domain with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine or L-norleucine: substrate specificity and molecular motions related to substrate binding.	Journal of molecular biology 20031031
Substrate-induced conformational transition in human phenylalanine hydroxylase as studied by surface plasmon resonance analyses: the effect of terminal deletions, substrate analogues and phosphorylation.	The Biochemical journal 20030201
Crystal structure of the ternary complex of the catalytic domain of human phenylalanine hydroxylase with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its implications for the mechanism of catalysis and substrate activation.	Journal of molecular biology 20020726