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34317-60-7 | 2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid
CAS No: 34317-60-7 Catalog No: AG0035KO MDL No:
Product Description
Catalog Number:
AG0035KO
Chemical Name:
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid
CAS Number:
34317-60-7
Molecular Formula:
C7H11NO6S
Molecular Weight:
237.2303
IUPAC Name:
2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acid
InChI:
InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
InChI Key:
XPKKFTKCRVIDAG-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)SCC(C(=O)O)N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.226g/mol
Monoisotopic Mass:
237.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Literature
| Title | Journal |
|---|---|
| Effect of S-(1,2-dicarboxyethyl) glutathione and S-(1,2-dicarboxyethyl) cysteine on the stimulus-induced superoxide generation and tyrosyl phosphorylation of proteins in human neutrophils. | Clinical chemistry and laboratory medicine 20021101 |
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