CAS 1012-05-1 | Benzenebutanoic acid, α-amino- | CAS Number 1012-05-1

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1012-05-1 | Benzenebutanoic acid, α-amino-

CAS No: 1012-05-1 Catalog No: AG0003XZ MDL No:MFCD00063092

Product Description

Catalog Number:

AG0003XZ

Chemical Name:

Benzenebutanoic acid, α-amino-

CAS Number:

1012-05-1

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD00063092

IUPAC Name:

2-amino-4-phenylbutanoic acid

InChI:

InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChI Key:

JTTHKOPSMAVJFE-UHFFFAOYSA-N

SMILES:

NC(C(=O)O)CCc1ccccc1

Properties

Complexity:

164

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.219g/mol

Monoisotopic Mass:

179.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

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Assessment of factors affecting micropropagation and ex vitro acclimatization of Nyctanthes arbor-tristis L.	Acta biologica Hungarica 20110301
Identification of potent 11mer glucagon-like peptide-1 receptor agonist peptides with novel C-terminal amino acids: Homohomophenylalanine analogs.	Peptides 20100501
(S)-alpha-methyl,alpha-amino acids: a new stereocontrolled synthesis.	Amino acids 20100301
The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements.	Bioorganic & medicinal chemistry letters 20091115
From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV.	Bioorganic & medicinal chemistry letters 20090815
Discovery of beta-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV.	Bioorganic & medicinal chemistry letters 20090801
Caulogenic induction in cotyledons of stone pine (Pinus pinea): relationship between organogenic response and benzyladenine trends in selected families.	Journal of plant physiology 20090715
Benzyladenine metabolism and temporal competence of Pinus pinea cotyledons to form buds in vitro.	Journal of plant physiology 20090701
Simultaneous synthesis of 2-phenylethanol and L-homophenylalanine using aromatic transaminase with yeast Ehrlich pathway.	Biotechnology and bioengineering 20090401
Asymmetrically simultaneous synthesis of L-homophenylalanine and N6-protected-2-oxo-6-amino-hexanoic acid by engineered Escherichia coli aspartate aminotransferase.	Biotechnology progress 20090101
A novel hydantoinase process using recombinant Escherichia coli cells with dihydropyrimidinase and L-N-carbamoylase activities as biocatalyst for the production of L-homophenylalanine.	Journal of biotechnology 20080430
Highly potent and selective substrate analogue factor Xa inhibitors containing D-homophenylalanine analogues as P3 residue: part 2.	ChemMedChem 20070701
mGluR7 undergoes rapid internalization in response to activation by the allosteric agonist AMN082.	Neuropharmacology 20070101
Structural-functional changes in detached cucumber leaves, and modelling these by hormone-treated leaf discs.	Plant biology (Stuttgart, Germany) 20070101
Expression and localization of calcium-dependent protein kinase isoforms in chickpea.	Journal of plant physiology 20061101
Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.	Bioorganic & medicinal chemistry letters 20060301
Enantioselective synthesis of L-homophenylalanine by whole cells of recombinant Escherichia coli expressing L-aminoacylase and N-acylamino acid racemase genes from Deinococcus radiodurans BCRC12827.	Biotechnology progress 20060101
Activating cystic fibrosis transmembrane conductance regulator channels with pore blocker analogs.	The Journal of biological chemistry 20050624
Analogues of arginine vasopressin and its agonist and antagonist modified in the N-terminal part of the molecule with l-beta-homophenylalanine.	The journal of peptide research : official journal of the American Peptide Society 20050401
Asymmetrical synthesis of L-homophenylalanine using engineered Escherichia coli aspartate aminotransferase.	Biotechnology progress 20050101
In vitro micropropagation of Boswellia ovalifoliolata.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20050101
Discovery of potent and selective beta-homophenylalanine based dipeptidyl peptidase IV inhibitors.	Bioorganic & medicinal chemistry letters 20040920
Enantioselective synthesis of (S)-2-amino-4-phenylbutanoic acid by the hydantoinase method.	Chirality 20031001
Conformationally-restricted analogues of efflux pump inhibitors that potentiate the activity of levofloxacin in Pseudomonas aeruginosa.	Bioorganic & medicinal chemistry letters 20030818
Asymmetric synthesis of L-homophenylalanine by equilibrium-shift using recombinant aromatic L-amino acid transaminase.	Biotechnology and bioengineering 20030720
Conformationally homogeneous cyclic tetrapeptides: useful new three-dimensional scaffolds.	Journal of the American Chemical Society 20030122
Kinetic study on the enzymatic resolution of homophenylalanine ester using ionic liquids.	Biotechnology progress 20030101
Regulation of Brassica rapa chloroplast proliferation in vivo and in cultured leaf disks.	Protoplasma 20030101
In vitro organogenesis and genetic transformation in popular Cucumis sativus L. through Agrobacterium tumefaciens.	Indian journal of experimental biology 20020301
Backbone modifications of aromatic peptide nucleic acid (APNA ) monomers and their hybridization properties with DNA and RNA.	The Journal of organic chemistry 20010518