Yersiniabactin

Molecular Formula: C₂₁H₂₇N₃O₄S₃

InChI: InChI=1/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22-23,26H,8-10H2,1-3H3,(H,27,28)/b16-11+/t12-,13+,15+,17?,21+/m0/s1/f/h27H

InChIKey: InChIKey=CARQCAHMXWHUIE-XKHWWRKADD
SMILES: CC1(CSC(=N1)C(C)(C)C(C2CSC(N2)C3CSC(=C4C=CC=CC4=O)N3)O)C(=O)O

Names:
    C12038
    Yersiniabactin
    (4R)-2-[(1R)-1-hydroxy-2-methyl-1-[(4S)-2-[(2E,4R)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidin-4-yl]propan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Registries:
    PubChem CID 5462519
    PubChem ID 14193