methyl (2R,3S)-3-methyl-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC(=C(C(=N1)C)C)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NC(=C(C(=N1)C)C)C

InChI

InChI=1S/C16H25N3O3S/c1-7-9(2)14(15(21)22-6)19-13(20)8-23-16-17-11(4)10(3)12(5)18-16/h9,14H,7-8H2,1-6H3,(H,19,20)/t9-,14+/m0/s1