3-[[4-[3-fluoranyl-4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[3-fluoranyl-4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[3-fluoro-4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[3-fluoro-4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[3-fluoro-4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[3-fluoro-4-(2-pyrimidylamino)piperidino]benzoyl]amino]-2-hydroxy-propionic acid Formula: C19H22FN5O4 MolecularWeight: 403.407483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1NC2=NC=CC=N2)F)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

Isomeric SMILES

C1CN(CC(C1NC2=NC=CC=N2)F)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C19H22FN5O4/c20-14-11-25(9-6-15(14)24-19-21-7-1-8-22-19)13-4-2-12(3-5-13)17(27)23-10-16(26)18(28)29/h1-5,7-8,14-16,26H,6,9-11H2,(H,23,27)(H,28,29)(H,21,22,24)