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

Systemtic Name: 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-acetamido-3-[[oxo-[3-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-acetamido-3-[[3-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)C(=O)O

Isomeric SMILES

CC(=O)NC(CNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C21H26N6O4/c1-14(28)25-18(20(30)31)13-24-19(29)15-4-2-5-17(12-15)27-10-6-16(7-11-27)26-21-22-8-3-9-23-21/h2-5,8-9,12,16,18H,6-7,10-11,13H2,1H3,(H,24,29)(H,25,28)(H,30,31)(H,22,23,26)