2-[[5-aminocarbonyl-3-ethyl-4-[(5-propan-2-ylsulfonyl-2-propoxy-phenyl)carbonylamino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[5-aminocarbonyl-3-ethyl-4-[(5-propan-2-ylsulfonyl-2-propoxy-phenyl)carbonylamino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[5-carbamoyl-3-ethyl-4-[(5-isopropylsulfonyl-2-propoxy-benzoyl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[5-carbamoyl-3-ethyl-4-[[oxo-(5-propan-2-ylsulfonyl-2-propoxyphenyl)methyl]amino]-1-pyrazolyl]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[5-carbamoyl-3-ethyl-4-[(5-propan-2-ylsulfonyl-2-propoxybenzoyl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[5-carbamoyl-3-ethyl-4-[(5-isopropylsulfonyl-2-propoxy-benzoyl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylic acid Formula: C25H35N5O7S MolecularWeight: 549.6397

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)NC2=C(N(N=C2CC)CC3CCCN3C(=O)O)C(=O)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C(C)C)C(=O)NC2=C(N(N=C2CC)CC3CCCN3C(=O)O)C(=O)N

InChI

InChI=1S/C25H35N5O7S/c1-5-12-37-20-10-9-17(38(35,36)15(3)4)13-18(20)24(32)27-21-19(6-2)28-30(22(21)23(26)31)14-16-8-7-11-29(16)25(33)34/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3,(H2,26,31)(H,27,32)(H,33,34)