[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H25N3O3S/c1-13-17(14(2)23-21(22-13)28-3)11-12-18(25)27-19(15-7-5-4-6-8-15)20(26)24-16-9-10-16/h4-8,16,19H,9-12H2,1-3H3,(H,24,26)/t19-/m1/s1