tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[(1-tosylprolyl)amino]propionic acid tert-butyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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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)O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-17-7-13-20(14-8-17)34(31,32)27-15-5-6-22(27)23(29)26-21(24(30)33-25(2,3)4)16-18-9-11-19(28)12-10-18/h7-14,21-22,28H,5-6,15-16H2,1-4H3,(H,26,29)