20-[[3-methyl-1-(methylamino)-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-20-oxidanylidene-icosanoic acid

Systemtic Name: 20-[[3-methyl-1-(methylamino)-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-20-oxidanylidene-icosanoic acid Openeye Name: 20-[[2-methyl-1-(methylcarbamoyl)-2-sulfanyl-propyl]amino]-20-oxo-icosanoic acid CAS Name: 20-[[3-mercapto-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-20-oxoeicosanoic acid IUPAC Name: 20-[[3-methyl-1-(methylamino)-1-oxo-3-sulfanylbutan-2-yl]amino]-20-oxoicosanoic acid Traditional Name: 20-keto-20-[[2-mercapto-2-methyl-1-(methylcarbamoyl)propyl]amino]arachidic acid Formula: C26H50N2O4S MolecularWeight: 486.7512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)S

Isomeric SMILES

CC(C)(C(C(=O)NC)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)S

InChI

InChI=1S/C26H50N2O4S/c1-26(2,33)24(25(32)27-3)28-22(29)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(30)31/h24,33H,4-21H2,1-3H3,(H,27,32)(H,28,29)(H,30,31)