3-pyridin-3-yl-3-[2-[[4-(pyridin-2-ylmethylcarbamoylamino)pyrimidin-2-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[2-[[4-(pyridin-2-ylmethylcarbamoylamino)pyrimidin-2-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[4-(2-pyridylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[4-[[oxo-(2-pyridinylmethylamino)methyl]amino]-2-pyrimidinyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[4-(pyridin-2-ylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[4-(2-pyridylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]propionic acid Formula: C22H22N8O5 MolecularWeight: 478.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=NC(=NC=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NC(=NC=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H22N8O5/c31-18(28-16(10-19(32)33)14-4-3-7-23-11-14)13-26-21(34)20-25-9-6-17(29-20)30-22(35)27-12-15-5-1-2-8-24-15/h1-9,11,16H,10,12-13H2,(H,26,34)(H,28,31)(H,32,33)(H2,25,27,29,30,35)