4-[6-methyl-2-(11-sulfinoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[6-methyl-2-(11-sulfinoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid Openeye Name: 4-[[6-methyl-2-(11-sulfinoundecanoylamino)-3-pyridyl]sulfanyl]butanoic acid CAS Name: 4-[[6-methyl-2-[(1-oxo-11-sulfinoundecyl)amino]-3-pyridinyl]thio]butanoic acid IUPAC Name: 4-[6-methyl-2-(11-sulfinoundecanoylamino)pyridin-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[6-methyl-2-(11-sulfinoundecanoylamino)-3-pyridyl]thio]butyric acid Formula: C21H34N2O5S2 MolecularWeight: 458.63506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5S2/c1-17-13-14-18(29-15-10-12-20(25)26)21(22-17)23-19(24)11-8-6-4-2-3-5-7-9-16-30(27)28/h13-14H,2-12,15-16H2,1H3,(H,25,26)(H,27,28)(H,22,23,24)