3-[[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]nonadecanoic acid

Systemtic Name: 3-[[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]nonadecanoic acid Openeye Name: 3-[[2-methyl-1-(methylcarbamoyl)-2-methylsulfanyl-propyl]carbamoyl]nonadecanoic acid CAS Name: 3-[[[3-methyl-1-(methylamino)-3-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]nonadecanoic acid IUPAC Name: 3-[[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]nonadecanoic acid Traditional Name: 3-[[2-methyl-1-(methylcarbamoyl)-2-(methylthio)propyl]carbamoyl]nonadecanoic acid Formula: C27H52N2O4S MolecularWeight: 500.77778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C(=O)NC)C(C)(C)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C(=O)NC)C(C)(C)SC

InChI

InChI=1S/C27H52N2O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(21-23(30)31)25(32)29-24(26(33)28-4)27(2,3)34-5/h22,24H,6-21H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)