2-[4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-[(carboxymethylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(carboxymethylcarbamoyl)pyrrolidino]sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H33N3O7S MolecularWeight: 543.63182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C27H33N3O7S/c31-25(32)18-28-26(33)24-4-3-17-30(24)38(36,37)22-12-8-20(9-13-22)23(27(34)35)14-7-19-5-10-21(11-6-19)29-15-1-2-16-29/h5-6,8-13,23-24H,1-4,7,14-18H2,(H,28,33)(H,31,32)(H,34,35)