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121770-02-3 | L-Alanine, N-(2-phenylethylidene)-
CAS No: 121770-02-3 Catalog No: AG0015WP MDL No:
Product Description
Catalog Number:
AG0015WP
Chemical Name:
L-Alanine, N-(2-phenylethylidene)-
CAS Number:
121770-02-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
(2S)-2-(2-phenylethylideneamino)propanoic acid
InChI:
InChI=1S/C11H13NO2/c1-9(11(13)14)12-8-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,13,14)/t9-/m0/s1
InChI Key:
UTTGNLUCGWCHPC-VIFPVBQESA-N
SMILES:
C[C@@H](C(=O)O)N=CCc1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Assessing the deamination rate of a covalent aminomutase adduct by burst phase analysis. | Biochemistry 20120703 |
| (S)-Styryl-α-alanine used to probe the intermolecular mechanism of an intramolecular MIO-aminomutase. | Biochemistry 20111122 |
| Mechanistic, mutational, and structural evaluation of a Taxus phenylalanine aminomutase. | Biochemistry 20110412 |
| In vitro selection of a DNA-templated small-molecule library reveals a class of macrocyclic kinase inhibitors. | Journal of the American Chemical Society 20100825 |
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