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

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-oxidanyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[hydroxy-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[hydroxy-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[hydroxy-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[hydroxy-(1-tosylprolyl)amino]-3-phenyl-propionic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-15-9-11-17(12-10-15)30(28,29)22-13-5-8-18(22)20(24)23(27)19(21(25)26)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,27H,5,8,13-14H2,1H3,(H,25,26)