4-azanyl-2-[(2-ethyl-5-propan-2-yl-pyrazol-3-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-ethyl-5-propan-2-yl-pyrazol-3-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-ethyl-5-isopropyl-pyrazole-3-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(2-ethyl-5-propan-2-yl-3-pyrazolyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-ethyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(2-ethyl-5-isopropyl-pyrazole-3-carbonyl)amino]-4-keto-butyric acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(C)C)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)C(C)C)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H20N4O4/c1-4-17-10(5-8(16-17)7(2)3)12(19)15-9(13(20)21)6-11(14)18/h5,7,9H,4,6H2,1-3H3,(H2,14,18)(H,15,19)(H,20,21)