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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(3-pyridylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[oxo-[1-(3-pyridinylsulfonyl)-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyridin-3-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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