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Home > Pyridines > 130918-95-5
130918-95-5 | L-Cysteine, N-acetyl-S-[1-methyl-3-oxo-3-(3-pyridinyl)propyl]-
CAS No: 130918-95-5 Catalog No: AG000V39 MDL No:
Product Description
Catalog Number:
AG000V39
Chemical Name:
L-Cysteine, N-acetyl-S-[1-methyl-3-oxo-3-(3-pyridinyl)propyl]-
CAS Number:
130918-95-5
Molecular Formula:
C14H18N2O4S
Molecular Weight:
310.3687
IUPAC Name:
(2R)-2-acetamido-3-(4-oxo-4-pyridin-3-ylbutan-2-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C14H18N2O4S/c1-9(6-13(18)11-4-3-5-15-7-11)21-8-12(14(19)20)16-10(2)17/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,17)(H,19,20)/t9?,12-/m0/s1
InChI Key:
VMSBXDKUOVNGKF-ACGXKRRESA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSC(CC(=O)c1cccnc1)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.368g/mol
Monoisotopic Mass:
310.099g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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