3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(2-pyridylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[oxo-[1-(2-pyridinylsulfonyl)-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(2-pyridylsulfonyl)prolyl]amino]propionic acid Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C22H26N4O7S/c1-25(2)22(30)33-16-10-8-15(9-11-16)14-17(21(28)29)24-20(27)18-6-5-13-26(18)34(31,32)19-7-3-4-12-23-19/h3-4,7-12,17-18H,5-6,13-14H2,1-2H3,(H,24,27)(H,28,29)