tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-2-[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-1-oxobutyl]amino]-3-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoyl]amino]-3-methylpentanoate Traditional Name: (2S)-2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butanoyl]amino]-3-methyl-valeric acid tert-butyl ester Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O5S/c1-10-13(4)16(19(26)29-21(5,6)7)24-18(25)17(12(2)3)30-20-22-14(27-8)11-15(23-20)28-9/h11-13,16-17H,10H2,1-9H3,(H,24,25)/t13?,16-,17?/m0/s1