4-methyl-2-[2-[phenyl(2-sulfanylethanoyl)amino]propanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-[phenyl(2-sulfanylethanoyl)amino]propanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[2-(N-(2-sulfanylacetyl)anilino)propanoylamino]pentanoic acid CAS Name: 2-[[2-(N-(2-mercapto-1-oxoethyl)anilino)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[2-(N-(2-sulfanylacetyl)anilino)propanoylamino]pentanoic acid Traditional Name: 2-[2-(N-(2-mercaptoacetyl)anilino)propanoylamino]-4-methyl-valeric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)N(C1=CC=CC=C1)C(=O)CS

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C)N(C1=CC=CC=C1)C(=O)CS

InChI

InChI=1S/C17H24N2O4S/c1-11(2)9-14(17(22)23)18-16(21)12(3)19(15(20)10-24)13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,21)(H,22,23)