12-[[6-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[6-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-pyridin-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butyl)sulfanyl-6-methyl-2-pyridyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-[(4-hydroxy-4-oxobutyl)thio]-6-methyl-2-pyridinyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutyl)sulfanyl-6-methylpyridin-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-[(4-hydroxy-4-keto-butyl)thio]-6-methyl-2-pyridyl]amino]-12-keto-lauric acid Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34N2O5S/c1-17-14-15-18(30-16-10-13-21(28)29)22(23-17)24-19(25)11-8-6-4-2-3-5-7-9-12-20(26)27/h14-15H,2-13,16H2,1H3,(H,26,27)(H,28,29)(H,23,24,25)