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123402-53-9 | L-Cysteine, S-[2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl]-
CAS No: 123402-53-9 Catalog No: AG000KJD MDL No:
Product Description
Catalog Number:
AG000KJD
Chemical Name:
L-Cysteine, S-[2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl]-
CAS Number:
123402-53-9
Molecular Formula:
C14H20N2O3S
Molecular Weight:
296.3852
IUPAC Name:
2-amino-3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
InChI:
InChI=1S/C14H20N2O3S/c1-3-10-6-4-5-9(2)13(10)16-12(17)8-20-7-11(15)14(18)19/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
RDABQKFPENTVIN-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)CSC[C@@H](C(=O)O)N)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.385g/mol
Monoisotopic Mass:
296.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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