4-methylsulfanyl-2-(3,5,5-trimethylhexanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3,5,5-trimethylhexanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(3,5,5-trimethylhexanoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[(3,5,5-trimethyl-1-oxohexyl)amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3,5,5-trimethylhexanoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(3,5,5-trimethylhexanoylamino)butyric acid Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CCSC)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC(CCSC)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C14H27NO3S/c1-10(9-14(2,3)4)8-12(16)15-11(13(17)18)6-7-19-5/h10-11H,6-9H2,1-5H3,(H,15,16)(H,17,18)