8-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]octanoic acid

Systemtic Name: 8-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]octanoic acid Openeye Name: 8-[[2-(acetylsulfanylmethyl)-4-methyl-pentanoyl]amino]octanoic acid CAS Name: 8-[[2-[(acetylthio)methyl]-4-methyl-1-oxopentyl]amino]octanoic acid IUPAC Name: 8-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]octanoic acid Traditional Name: 8-[[2-[(acetylthio)methyl]-4-methyl-pentanoyl]amino]caprylic acid Formula: C17H31NO4S MolecularWeight: 345.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C17H31NO4S/c1-13(2)11-15(12-23-14(3)19)17(22)18-10-8-6-4-5-7-9-16(20)21/h13,15H,4-12H2,1-3H3,(H,18,22)(H,20,21)