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

Systemtic Name: 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-benzamido-3-[[oxo-[4-[3-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-benzamido-3-[[4-[3-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)C3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)C3=CC=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C26H28N6O4/c33-23(29-16-22(25(35)36)31-24(34)18-6-2-1-3-7-18)19-9-11-21(12-10-19)32-15-4-8-20(17-32)30-26-27-13-5-14-28-26/h1-3,5-7,9-14,20,22H,4,8,15-17H2,(H,29,33)(H,31,34)(H,35,36)(H,27,28,30)