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

Systemtic Name: tert-butyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-pyrrolidin-1-ylphenyl)propanoate Openeye Name: tert-butyl 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-(4-pyrrolidin-1-ylphenyl)propanoate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-(1-pyrrolidinyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-pyrrolidin-1-ylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinophenyl)-2-[(1-tosylprolyl)amino]propionic acid tert-butyl ester Formula: C29H39N3O5S MolecularWeight: 541.70206

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O5S/c1-21-9-15-24(16-10-21)38(35,36)32-19-7-8-26(32)27(33)30-25(28(34)37-29(2,3)4)20-22-11-13-23(14-12-22)31-17-5-6-18-31/h9-16,25-26H,5-8,17-20H2,1-4H3,(H,30,33)