tert-butyl 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]butanoate

Systemtic Name: tert-butyl 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]butanoate Openeye Name: tert-butyl 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylphenyl)sulfonylamino]-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]butanoate Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-4-(tosylamino)butyric acid tert-butyl ester Formula: C31H44N2O5S MolecularWeight: 556.75646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O5S/c1-23(2)22-31(18-21-33(29(31)35)20-17-25-10-8-7-9-11-25)27(28(34)38-30(4,5)6)16-19-32-39(36,37)26-14-12-24(3)13-15-26/h7-15,23,27,32H,16-22H2,1-6H3