3-[[2-oxidanyl-5-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-oxidanyl-5-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-hydroxy-5-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[2-hydroxy-5-[2-(2-pyrimidinylamino)ethoxy]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-hydroxy-5-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-hydroxy-5-[2-(2-pyrimidylamino)ethoxy]benzoyl]amino]-3-phenyl-propionic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=CC(=C2)OCCNC3=NC=CC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=CC(=C2)OCCNC3=NC=CC=N3)O

InChI

InChI=1S/C22H22N4O5/c27-19-8-7-16(31-12-11-25-22-23-9-4-10-24-22)13-17(19)21(30)26-18(14-20(28)29)15-5-2-1-3-6-15/h1-10,13,18,27H,11-12,14H2,(H,26,30)(H,28,29)(H,23,24,25)