2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid Openeye Name: 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-(1-pyrrolidinyl)phenyl]propanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid Traditional Name: 3-(4-pyrrolidinophenyl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H31N3O5S/c1-18-6-12-21(13-7-18)34(32,33)28-16-4-5-23(28)24(29)26-22(25(30)31)17-19-8-10-20(11-9-19)27-14-2-3-15-27/h6-13,22-23H,2-5,14-17H2,1H3,(H,26,29)(H,30,31)