2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

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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)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H30N2O6S/c1-20-9-15-24(16-10-20)37(34,35)30-17-5-8-26(30)27(31)29-25(28(32)33)18-21-11-13-23(14-12-21)36-19-22-6-3-2-4-7-22/h2-4,6-7,9-16,25-26H,5,8,17-19H2,1H3,(H,29,31)(H,32,33)