3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-2-[(2-methyloxolan-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-2-[(2-methyloxolan-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-2-[(2-methyltetrahydrofuran-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2,4-dimethoxy-5-pyrimidinyl)phenyl]-2-[[(2-methyl-2-oxolanyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-2-[(2-methyloxolane-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]-2-[(2-methyltetrahydrofuran-2-carbonyl)amino]propionic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCO1)C(=O)NC(CC2=CC=C(C=C2)C3=CN=C(N=C3OC)OC)C(=O)O

Isomeric SMILES

CC1(CCCO1)C(=O)NC(CC2=CC=C(C=C2)C3=CN=C(N=C3OC)OC)C(=O)O

InChI

InChI=1S/C21H25N3O6/c1-21(9-4-10-30-21)19(27)23-16(18(25)26)11-13-5-7-14(8-6-13)15-12-22-20(29-3)24-17(15)28-2/h5-8,12,16H,4,9-11H2,1-3H3,(H,23,27)(H,25,26)