(2R)-2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2R)-2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbonylamino]propanoic acid Openeye Name: (2R)-2-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]propanoic acid CAS Name: (2R)-2-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoyl]amino]propionic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@H](C)C(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C20H19N5O3/c1-12-5-6-14(18(26)23-13(2)19(27)28)10-17(12)25-20-22-9-7-16(24-20)15-4-3-8-21-11-15/h3-11,13H,1-2H3,(H,23,26)(H,27,28)(H,22,24,25)/t13-/m1/s1