2-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(1-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[[1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(1-methyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)amino]propionic acid Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)NC(CO)C(=O)O)N2C=CC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)NC(CO)C(=O)O)N2C=CC=C2

InChI

InChI=1S/C12H14N4O4/c1-15-11(16-4-2-3-5-16)8(6-13-15)10(18)14-9(7-17)12(19)20/h2-6,9,17H,7H2,1H3,(H,14,18)(H,19,20)