2-[[5-aminocarbonyl-4-[(2-ethoxy-5-methylsulfonyl-pyridin-3-yl)carbonylamino]-3-ethyl-pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[5-aminocarbonyl-4-[(2-ethoxy-5-methylsulfonyl-pyridin-3-yl)carbonylamino]-3-ethyl-pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[5-carbamoyl-4-[(2-ethoxy-5-methylsulfonyl-pyridine-3-carbonyl)amino]-3-ethyl-pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[5-carbamoyl-4-[[(2-ethoxy-5-methylsulfonyl-3-pyridinyl)-oxomethyl]amino]-3-ethyl-1-pyrazolyl]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[5-carbamoyl-4-[(2-ethoxy-5-methylsulfonylpyridine-3-carbonyl)amino]-3-ethylpyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[5-carbamoyl-4-[(2-ethoxy-5-mesyl-nicotinoyl)amino]-3-ethyl-pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Formula: C21H28N6O7S MolecularWeight: 508.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1NC(=O)C2=CC(=CN=C2OCC)S(=O)(=O)C)C(=O)N)CC3CCCN3C(=O)O

Isomeric SMILES

CCC1=NN(C(=C1NC(=O)C2=CC(=CN=C2OCC)S(=O)(=O)C)C(=O)N)CC3CCCN3C(=O)O

InChI

InChI=1S/C21H28N6O7S/c1-4-15-16(17(18(22)28)27(25-15)11-12-7-6-8-26(12)21(30)31)24-19(29)14-9-13(35(3,32)33)10-23-20(14)34-5-2/h9-10,12H,4-8,11H2,1-3H3,(H2,22,28)(H,24,29)(H,30,31)