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

Systemtic Name: (2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid Openeye Name: (2S)-2-[[6-(4-benzyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: (2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]propanoic acid Traditional Name: (2S)-2-[[6-(4-benzoxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H23N3O3/c30-26(31)24(15-19-7-3-1-4-8-19)29-25-16-23(27-18-28-25)21-11-13-22(14-12-21)32-17-20-9-5-2-6-10-20/h1-14,16,18,24H,15,17H2,(H,30,31)(H,27,28,29)/t24-/m0/s1