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126581-78-0 | L-Cysteine, N-(3-pyridinylcarbonyl)-
CAS No: 126581-78-0 Catalog No: AG000SYT MDL No:
Product Description
Catalog Number:
AG000SYT
Chemical Name:
L-Cysteine, N-(3-pyridinylcarbonyl)-
CAS Number:
126581-78-0
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
IUPAC Name:
(2R)-2-(pyridine-3-carbonylamino)-3-sulfanylpropanoic acid
InChI:
InChI=1S/C9H10N2O3S/c12-8(6-2-1-3-10-4-6)11-7(5-15)9(13)14/h1-4,7,15H,5H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChI Key:
XXAHMKAMYCVWLV-ZETCQYMHSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)c1cccnc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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