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1999-45-7 | Phenylalanine, alanyl-
CAS No: 1999-45-7 Catalog No: AG002CFF MDL No:MFCD00008074
Product Description
Catalog Number:
AG002CFF
Chemical Name:
Phenylalanine, alanyl-
CAS Number:
1999-45-7
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD00008074
IUPAC Name:
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)
InChI Key:
OMNVYXHOSHNURL-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)N
EC Number:
217-885-6
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
Literature
| Title | Journal |
|---|---|
| Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor. | Nature chemical biology 20090101 |
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