2-[methyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[methyl-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[methyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[methyl-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[methyl-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[methyl-(1-tosylprolyl)amino]-3-phenyl-propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-10-12-18(13-11-16)30(28,29)24-14-6-9-19(24)21(25)23(2)20(22(26)27)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,26,27)