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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)NC3=NC=CC=N3

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)O)NC3=NC=CC=N3

InChI

InChI=1S/C19H23N5O4/c25-16(18(27)28)11-22-17(26)13-4-6-15(7-5-13)24-10-1-3-14(12-24)23-19-20-8-2-9-21-19/h2,4-9,14,16,25H,1,3,10-12H2,(H,22,26)(H,27,28)(H,20,21,23)