2-[2-(5-acetamido-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(5-acetamido-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(5-acetamido-6-oxo-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(5-acetamido-6-oxo-2-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(5-acetamido-6-keto-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-methyl-butyric acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C(=NC=C(C1=O)NC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C(=NC=C(C1=O)NC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O5/c1-11(2)16(19(27)28)22-15(25)10-23-17(13-7-5-4-6-8-13)20-9-14(18(23)26)21-12(3)24/h4-9,11,16H,10H2,1-3H3,(H,21,24)(H,22,25)(H,27,28)