(2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanoic acid CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butyric acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H19N3O6/c1-4-11(16(22)23)18-15(21)10-7-5-6-8-12(10)26-17-19-13(24-2)9-14(20-17)25-3/h5-9,11H,4H2,1-3H3,(H,18,21)(H,22,23)/t11-/m0/s1