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175201-68-0 | L-Methionine, N-[[2-(methylthio)-3-pyridinyl]carbonyl]-, methyl ester
CAS No: 175201-68-0 Catalog No: AG0020FC MDL No:MFCD00067926
Product Description
Catalog Number:
AG0020FC
Chemical Name:
L-Methionine, N-[[2-(methylthio)-3-pyridinyl]carbonyl]-, methyl ester
CAS Number:
175201-68-0
Molecular Formula:
C13H18N2O3S2
Molecular Weight:
314.4236
MDL Number:
MFCD00067926
IUPAC Name:
methyl 4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoate
InChI:
InChI=1S/C13H18N2O3S2/c1-18-13(17)10(6-8-19-2)15-11(16)9-5-4-7-14-12(9)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)
InChI Key:
GSUDSBHFXNANTM-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)OC)NC(=O)c1cccnc1SC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.418g/mol
Monoisotopic Mass:
314.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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