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175201-66-8

175201-66-8 | L-Methionine, N-[[2-(ethylthio)-3-pyridinyl]carbonyl]-

CAS No: 175201-66-8 Catalog No: AG0020FE MDL No:MFCD03407299

Product Description

Catalog Number:
AG0020FE
Chemical Name:
L-Methionine, N-[[2-(ethylthio)-3-pyridinyl]carbonyl]-
CAS Number:
175201-66-8
Molecular Formula:
C13H18N2O3S2
Molecular Weight:
314.4236
MDL Number:
MFCD03407299
IUPAC Name:
2-[(2-ethylsulfanylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C13H18N2O3S2/c1-3-20-12-9(5-4-7-14-12)11(16)15-10(13(17)18)6-8-19-2/h4-5,7,10H,3,6,8H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
ZWPMMGBFRCEMNH-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)c1cccnc1SCC

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:
2  
Isotope Atom Count:
0
Molecular Weight:
314.418g/mol
Monoisotopic Mass:
314.076g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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