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

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[oxo-[1-(2-pyrimidinylsulfonyl)-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-pyrimidin-2-ylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[1-(2-pyrimidylsulfonyl)prolyl]amino]propionic acid Formula: C21H25N5O7S MolecularWeight: 491.5175

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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=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O7S/c1-25(2)21(30)33-15-8-6-14(7-9-15)13-16(19(28)29)24-18(27)17-5-3-12-26(17)34(31,32)20-22-10-4-11-23-20/h4,6-11,16-17H,3,5,12-13H2,1-2H3,(H,24,27)(H,28,29)