3-(3-methylphenyl)-2-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-2-[[1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 2-[[[1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 2-[(1-besylprolyl)amino]-3-(m-tolyl)propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-15-7-5-8-16(13-15)14-18(21(25)26)22-20(24)19-11-6-12-23(19)29(27,28)17-9-3-2-4-10-17/h2-5,7-10,13,18-19H,6,11-12,14H2,1H3,(H,22,24)(H,25,26)