Pyochelin
(4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Pyochelin|Pyocheline|Pyochlln|Pyochelin I|Chelins, pyo|Siderophores, pyochelins|J1.291.250A|(4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid|(4R)-2-[(4R)-4,5-Dihydro-2-(2-hydroxyphenyl)thiazole-4-yl]-3-methyl-4-thiazolidinecarboxylic acid|(4R)-3-methyl-2-[(2E,4R)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06024 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.06024 |
| Monoisotopic Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 69772-54-9 |
|---|---|
| SMILES | CN1[C@@H](CSC1[C@H]2CSC(=N2)C3=CC=CC=C3O)C(=O)O |
| InChIKey | NYBZAGXTZXPYND-GDVCOKDOSA-N |
Product Overview
Pyochelin (CAS 69772-54-9), with molecular formula C14H16N2O3S2 and molecular weight 324.06024 g/mol. IUPAC: (4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid.
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