3-[5-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[1-methyl-5-[[(1-methyl-4-pyrazolyl)methylamino]-oxomethyl]-4-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C17H20N8O4/c1-23-10-11(8-20-23)7-18-17(29)15-12(9-21-24(15)2)22-16(28)13-3-5-19-25(13)6-4-14(26)27/h3,5,8-10H,4,6-7H2,1-2H3,(H,18,29)(H,22,28)(H,26,27)