4-methyl-2-[2-methyl-3-oxidanylidene-3-(2-sulfanylethylamino)propyl]hexanoic acid

Systemtic Name: 4-methyl-2-[2-methyl-3-oxidanylidene-3-(2-sulfanylethylamino)propyl]hexanoic acid Openeye Name: 4-methyl-2-[2-methyl-3-oxo-3-(2-sulfanylethylamino)propyl]hexanoic acid CAS Name: 2-[3-(2-mercaptoethylamino)-2-methyl-3-oxopropyl]-4-methylhexanoic acid IUPAC Name: 4-methyl-2-[2-methyl-3-oxo-3-(2-sulfanylethylamino)propyl]hexanoic acid Traditional Name: 2-[3-keto-3-(2-mercaptoethylamino)-2-methyl-propyl]-4-methyl-hexanoic acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC(C)C(=O)NCCS)C(=O)O

Isomeric SMILES

CCC(C)CC(CC(C)C(=O)NCCS)C(=O)O

InChI

InChI=1S/C13H25NO3S/c1-4-9(2)7-11(13(16)17)8-10(3)12(15)14-5-6-18/h9-11,18H,4-8H2,1-3H3,(H,14,15)(H,16,17)