3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[2-hydroxy-4-[2-(2-pyrimidinylamino)ethoxy]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-hydroxy-4-[2-(2-pyrimidylamino)ethoxy]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c27-18-11-15(31-10-9-25-21-23-7-2-8-24-21)4-5-16(18)20(30)26-17(12-19(28)29)14-3-1-6-22-13-14/h1-8,11,13,17,27H,9-10,12H2,(H,26,30)(H,28,29)(H,23,24,25)