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

Systemtic Name: 2-[4-[2-(2-azanylethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-[2-aminoethoxy(oxo)methyl]-1-pyrrolidinyl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(2-aminoethoxycarbonyl)pyrrolidino]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H37N3O6S MolecularWeight: 543.67488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)OCCN)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H37N3O6S/c1-20-19-23(38(35,36)31-17-4-5-26(31)28(34)37-18-14-29)11-13-24(20)25(27(32)33)12-8-21-6-9-22(10-7-21)30-15-2-3-16-30/h6-7,9-11,13,19,25-26H,2-5,8,12,14-18,29H2,1H3,(H,32,33)