4-methyl-2-[methyl-[3-(phenylcarbonylsulfanyl)propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[methyl-[3-(phenylcarbonylsulfanyl)propanoyl]amino]pentanoic acid Openeye Name: 2-[3-benzoylsulfanylpropanoyl(methyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[3-benzoylsulfanylpropanoyl(methyl)amino]-4-methylpentanoic acid Traditional Name: 2-[3-(benzoylthio)propanoyl-methyl-amino]-4-methyl-valeric acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C)C(=O)CCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)N(C)C(=O)CCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H23NO4S/c1-12(2)11-14(16(20)21)18(3)15(19)9-10-23-17(22)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,20,21)