(2S)-3-phenyl-2-[[6-(6-phenylmethoxypyridin-3-yl)pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[6-(6-phenylmethoxypyridin-3-yl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: (2S)-2-[[6-(6-benzyloxy-3-pyridyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-3-phenyl-2-[[6-(6-phenylmethoxy-3-pyridinyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: (2S)-3-phenyl-2-[[6-(6-phenylmethoxypyridin-3-yl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: (2S)-2-[[6-(6-benzoxy-3-pyridyl)pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=C2)C3=CN=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=NC=NC(=C2)C3=CN=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3/c30-25(31)22(13-18-7-3-1-4-8-18)29-23-14-21(27-17-28-23)20-11-12-24(26-15-20)32-16-19-9-5-2-6-10-19/h1-12,14-15,17,22H,13,16H2,(H,30,31)(H,27,28,29)/t22-/m0/s1