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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C19H23N5O4/c25-16(18(27)28)12-22-17(26)13-2-4-15(5-3-13)24-10-6-14(7-11-24)23-19-20-8-1-9-21-19/h1-5,8-9,14,16,25H,6-7,10-12H2,(H,22,26)(H,27,28)(H,20,21,23)