2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-11(10-22-12(2)18)15(19)17(3)14(16(20)21)9-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,20,21)