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

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3S/c1-5-13(2)18(19(25)26-4)23-17(24)12-27-20-21-14(3)11-16(22-20)15-9-7-6-8-10-15/h6-11,13,18H,5,12H2,1-4H3,(H,23,24)/t13-,18+/m0/s1