diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-oxobutyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butanoyl]amino]glutaric acid diethyl ester Formula: C20H31N3O7S MolecularWeight: 457.54104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C(C(C)C)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C(C(C)C)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C20H31N3O7S/c1-7-29-16(24)10-9-13(19(26)30-8-2)21-18(25)17(12(3)4)31-20-22-14(27-5)11-15(23-20)28-6/h11-13,17H,7-10H2,1-6H3,(H,21,25)/t13-,17?/m0/s1