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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H25N3O3S/c1-13(2)10-17(19(25)26-4)22-18(24)12-27-20-21-14(3)11-16(23-20)15-8-6-5-7-9-15/h5-9,11,13,17H,10,12H2,1-4H3,(H,22,24)/t17-/m1/s1