4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]butanoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]butanoic acid Openeye Name: 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-4-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]butanoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]butanoic acid Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-4-(tosylamino)butyric acid Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)C2(CCN(C2=O)CCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)O)C2(CCN(C2=O)CCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C27H36N2O5S/c1-20(2)19-27(15-18-29(26(27)32)17-14-22-7-5-4-6-8-22)24(25(30)31)13-16-28-35(33,34)23-11-9-21(3)10-12-23/h4-12,20,24,28H,13-19H2,1-3H3,(H,30,31)