methyl (2S)-2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CSC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-17(2)14-22(24(30)31-3)26-23(29)16-32-25-27-20(18-10-6-4-7-11-18)15-21(28-25)19-12-8-5-9-13-19/h4-13,15,17,22H,14,16H2,1-3H3,(H,26,29)/t22-/m0/s1