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

Systemtic Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-8(2)12(15(21)22)19-14(20)13(9(3)4)25-16-17-10(23-5)7-11(18-16)24-6/h7-9,12-13H,1-6H3,(H,19,20)(H,21,22)