2-[methyl(pyrrolidin-2-ylcarbonyl)amino]-3-[4-(2-methylsulfanylphenyl)phenyl]propanoic acid

Systemtic Name: 2-[methyl(pyrrolidin-2-ylcarbonyl)amino]-3-[4-(2-methylsulfanylphenyl)phenyl]propanoic acid Openeye Name: 2-[methyl(pyrrolidine-2-carbonyl)amino]-3-[4-(2-methylsulfanylphenyl)phenyl]propanoic acid CAS Name: 2-[methyl-[oxo(2-pyrrolidinyl)methyl]amino]-3-[4-[2-(methylthio)phenyl]phenyl]propanoic acid IUPAC Name: 2-[methyl(pyrrolidine-2-carbonyl)amino]-3-[4-(2-methylsulfanylphenyl)phenyl]propanoic acid Traditional Name: 2-[methyl(prolyl)amino]-3-[4-[2-(methylthio)phenyl]phenyl]propionic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)C2=CC=CC=C2SC)C(=O)O)C(=O)C3CCCN3

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)C2=CC=CC=C2SC)C(=O)O)C(=O)C3CCCN3

InChI

InChI=1S/C22H26N2O3S/c1-24(21(25)18-7-5-13-23-18)19(22(26)27)14-15-9-11-16(12-10-15)17-6-3-4-8-20(17)28-2/h3-4,6,8-12,18-19,23H,5,7,13-14H2,1-2H3,(H,26,27)