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Home > Pyridines > 175201-69-1
175201-69-1 | L-Leucine, N-[[2-(methylthio)-3-pyridinyl]carbonyl]-
CAS No: 175201-69-1 Catalog No: AG0020FB MDL No:MFCD00067927
Product Description
Catalog Number:
AG0020FB
Chemical Name:
L-Leucine, N-[[2-(methylthio)-3-pyridinyl]carbonyl]-
CAS Number:
175201-69-1
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD00067927
IUPAC Name:
4-methyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]pentanoic acid
InChI:
InChI=1S/C13H18N2O3S/c1-8(2)7-10(13(17)18)15-11(16)9-5-4-6-14-12(9)19-3/h4-6,8,10H,7H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
QCNUVPGFTRHRMH-UHFFFAOYSA-N
SMILES:
CSc1ncccc1C(=O)N[C@H](C(=O)O)CC(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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