(2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-yl-propanoic acid

Systemtic Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-yl-propanoic acid Openeye Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-(2-pyridyl)propanoic acid CAS Name: (2S)-2-[[6-(4-phenethyloxyphenyl)-4-pyrimidinyl]amino]-3-(2-pyridinyl)propanoic acid IUPAC Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-pyridin-2-ylpropanoic acid Traditional Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-(2-pyridyl)propionic acid Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=CC(=NC=N3)NC(CC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=CC(=NC=N3)N[C@@H](CC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C26H24N4O3/c31-26(32)24(16-21-8-4-5-14-27-21)30-25-17-23(28-18-29-25)20-9-11-22(12-10-20)33-15-13-19-6-2-1-3-7-19/h1-12,14,17-18,24H,13,15-16H2,(H,31,32)(H,28,29,30)/t24-/m0/s1