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

Systemtic Name: 2-oxidanyl-3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-hydroxy-3-[[4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-hydroxy-3-[[oxo-[4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-hydroxy-3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-hydroxy-3-[[4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C19H23N5O4/c25-15(18(27)28)12-22-17(26)13-5-7-14(8-6-13)24-11-2-1-4-16(24)23-19-20-9-3-10-21-19/h3,5-10,15-16,25H,1-2,4,11-12H2,(H,22,26)(H,27,28)(H,20,21,23)