3-[4-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[carboxymethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[(3-acetylsulfanyl-2-methyl-propanoyl)-(carboxymethyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(carboxymethyl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-acetylsulfanyl-2-methylpropanoyl)-(carboxymethyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(acetylthio)-2-methyl-propanoyl]-(carboxymethyl)amino]phenyl]propionic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6S/c1-11(10-25-12(2)19)17(24)18(9-16(22)23)14-6-3-13(4-7-14)5-8-15(20)21/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,20,21)(H,22,23)