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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC(CC(C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N[C@H](CC(C)C)C(=O)OC)C

InChI

InChI=1S/C16H25N3O3S/c1-9(2)7-13(15(21)22-6)19-14(20)8-23-16-17-11(4)10(3)12(5)18-16/h9,13H,7-8H2,1-6H3,(H,19,20)/t13-/m1/s1