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

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

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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)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NC(=O)C4=CC=CC=C4

InChI

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