2-[4-[2-(carboxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[2-(carboxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(carboxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-(carboxymethyl)-1-pyrrolidinyl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(carboxymethyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(carboxymethyl)pyrrolidino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CC(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CC(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C27H34N2O6S/c1-19-17-23(36(34,35)29-16-4-5-22(29)18-26(30)31)11-13-24(19)25(27(32)33)12-8-20-6-9-21(10-7-20)28-14-2-3-15-28/h6-7,9-11,13,17,22,25H,2-5,8,12,14-16,18H2,1H3,(H,30,31)(H,32,33)