2-[3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid CAS Name: 3-hydroxy-2-[[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid Traditional Name: 2-[3-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)propanoylamino]-3-hydroxy-butyric acid Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)CCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)CCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C12H17N3O6/c1-5-7(10(18)15-12(21)13-5)3-4-8(17)14-9(6(2)16)11(19)20/h6,9,16H,3-4H2,1-2H3,(H,14,17)(H,19,20)(H2,13,15,18,21)