CAS 114926-37-3 | L-Phenylalanine, 3-methyl- | CAS Number 114926-37-3

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114926-37-3 | L-Phenylalanine, 3-methyl-

CAS No: 114926-37-3 Catalog No: AG000FGT MDL No:MFCD00044972

Product Description

Catalog Number:

AG000FGT

Chemical Name:

L-Phenylalanine, 3-methyl-

CAS Number:

114926-37-3

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD00044972

IUPAC Name:

(2S)-2-amino-3-(3-methylphenyl)propanoic acid

InChI:

InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChI Key:

JZRBSTONIYRNRI-VIFPVBQESA-N

SMILES:

OC(=O)[C@H](Cc1cccc(c1)C)N

Properties

Complexity:

182

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

Title	Journal
Mechanistic, mutational, and structural evaluation of a Taxus phenylalanine aminomutase.	Biochemistry 20110412
First total synthesis of hormaomycin, a naturally occurring depsipeptide with interesting biological activities.	Chemistry (Weinheim an der Bergstrasse, Germany) 20041004