3-methyl-2-(naphthalen-1-ylcarbamoylamino)-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-(naphthalen-1-ylcarbamoylamino)-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(1-naphthylcarbamoylamino)-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[(1-naphthalenylamino)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-(naphthalen-1-ylcarbamoylamino)-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(1-naphthylcarbamoylamino)butyric acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)NC1=CC=CC2=CC=CC=C21)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)NC1=CC=CC2=CC=CC=C21)S

InChI

InChI=1S/C16H18N2O3S/c1-16(2,22)13(14(19)20)18-15(21)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13,22H,1-2H3,(H,19,20)(H2,17,18,21)