4-[(2-methyl-2-sulfanyl-propyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methyl-2-sulfanyl-propyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-(2-methyl-2-sulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-mercapto-2-methylpropyl)-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-(2-methyl-2-sulfanylpropyl)amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-(2-mercapto-2-methyl-propyl)amino]-4-keto-butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(CC1=CC=CC=C1)C(=O)CCC(=O)O)S

Isomeric SMILES

CC(C)(CN(CC1=CC=CC=C1)C(=O)CCC(=O)O)S

InChI

InChI=1S/C15H21NO3S/c1-15(2,20)11-16(13(17)8-9-14(18)19)10-12-6-4-3-5-7-12/h3-7,20H,8-11H2,1-2H3,(H,18,19)