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3061-96-9 | L-Alanine, L-methionyl-
CAS No: 3061-96-9 Catalog No: AG0030OD MDL No:
Product Description
Catalog Number:
AG0030OD
Chemical Name:
L-Alanine, L-methionyl-
CAS Number:
3061-96-9
Molecular Formula:
C8H16N2O3S
Molecular Weight:
220.2892
IUPAC Name:
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChI Key:
JHKXZYLNVJRAAJ-WDSKDSINSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
220.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.287g/mol
Monoisotopic Mass:
220.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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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