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115144-35-9 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-
CAS No: 115144-35-9 Catalog No: AG000GCD MDL No:MFCD00044928
Product Description
Catalog Number:
AG000GCD
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-
CAS Number:
115144-35-9
Molecular Formula:
C11H7KN2O3S2
Molecular Weight:
318.4132
MDL Number:
MFCD00044928
IUPAC Name:
potassium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H8N2O3S2.K/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16;/h1-3,7,14H,4H2,(H,15,16);/q;+1/p-1/t7-;/m1./s1
InChI Key:
UMBKGTQQGYPQBE-OGFXRTJISA-M
SMILES:
[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)O.[K+]
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.954g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.406g/mol
Monoisotopic Mass:
317.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Purification to homogeneity and properties of two D-alanine carboxypeptidases I From Escherichia coli. | The Journal of biological chemistry 19760125 |
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