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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[(1-tosylprolyl)amino]propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(COCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(COCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-16-9-11-18(12-10-16)31(28,29)24-13-5-8-20(24)21(25)23-19(22(26)27)15-30-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,23,25)(H,26,27)