2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butanoyl]amino]propionic acid Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)O)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)O)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C14H21N3O5S/c1-7(2)11(12(18)15-8(3)13(19)20)23-14-16-9(21-4)6-10(17-14)22-5/h6-8,11H,1-5H3,(H,15,18)(H,19,20)