4-methyl-2-[1-phenylethylcarbamoyl(2-sulfanylethyl)amino]pentanoic acid

Systemtic Name: 4-methyl-2-[1-phenylethylcarbamoyl(2-sulfanylethyl)amino]pentanoic acid Openeye Name: 4-methyl-2-[1-phenylethylcarbamoyl(2-sulfanylethyl)amino]pentanoic acid CAS Name: 2-[2-mercaptoethyl-[oxo-(1-phenylethylamino)methyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[1-phenylethylcarbamoyl(2-sulfanylethyl)amino]pentanoic acid Traditional Name: 2-[2-mercaptoethyl(1-phenylethylcarbamoyl)amino]-4-methyl-valeric acid Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S/c1-12(2)11-15(16(20)21)19(9-10-23)17(22)18-13(3)14-7-5-4-6-8-14/h4-8,12-13,15,23H,9-11H2,1-3H3,(H,18,22)(H,20,21)