3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-[methyl(3-pyridinylsulfonyl)amino]-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(pyridin-3-ylsulfonyl)amino]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-[methyl(3-pyridylsulfonyl)amino]pyrimidin-4-yl]amino]propionic acid Formula: C22H24N6O6S MolecularWeight: 500.52756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2N(C)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC=C2N(C)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H24N6O6S/c1-27(2)22(31)34-16-8-6-15(7-9-16)11-18(21(29)30)26-20-19(13-24-14-25-20)28(3)35(32,33)17-5-4-10-23-12-17/h4-10,12-14,18H,11H2,1-3H3,(H,29,30)(H,24,25,26)