(2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-phenyl-propionic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C22H21N3O6/c1-29-18-13-19(30-2)25-22(24-18)31-17-11-7-6-10-15(17)20(26)23-16(21(27)28)12-14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3,(H,23,26)(H,27,28)/t16-/m0/s1