propan-2-yl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2)C

InChI

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