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121514-30-5 | 4-Thiazolidinecarboxylic acid, 2-[(5-hydroxy-1H-indol-3-yl)methyl]-
CAS No: 121514-30-5 Catalog No: AG001555 MDL No:
Product Description
Catalog Number:
AG001555
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-[(5-hydroxy-1H-indol-3-yl)methyl]-
CAS Number:
121514-30-5
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
2-[(5-hydroxy-1H-indol-3-yl)methyl]-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C13H14N2O3S/c16-8-1-2-10-9(4-8)7(5-14-10)3-12-15-11(6-19-12)13(17)18/h1-2,4-5,11-12,14-16H,3,6H2,(H,17,18)
InChI Key:
DFSPELNJAJEWOM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)Cc1c[nH]c2c1cc(O)cc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Serotonin catabolism and the formation and fate of 5-hydroxyindole thiazolidine carboxylic acid. | The Journal of biological chemistry 20060512 |
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