3-(3-methylbutylsulfanylmethyl)-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(3-methylbutylsulfanylmethyl)-4-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(isobutylamino)-3-(isopentylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 3-[(3-methylbutylthio)methyl]-4-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 3-(3-methylbutylsulfanylmethyl)-4-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 3-[(isoamylthio)methyl]-4-(isobutylamino)-4-keto-butyric acid Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSCC(CC(=O)O)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CCSCC(CC(=O)O)C(=O)NCC(C)C

InChI

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