2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid Openeye Name: 2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]-3-[4-(1-pyrrolidinyl)phenyl]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]-3-(4-pyrrolidin-1-ylphenyl)propanoic acid Traditional Name: 2-[prolyl(tosyl)amino]-3-(4-pyrrolidinophenyl)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)N(C(CC2=CC=C(C=C2)N3CCCC3)C(=O)O)C(=O)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)N3CCCC3)C(=O)O)C(=O)C4CCCN4

InChI

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