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

Systemtic Name: 3-[2-[[4-(pyridin-2-ylmethylcarbamoylamino)pyrimidin-2-yl]carbonylamino]ethanoylamino]pent-4-ynoic acid Openeye Name: 3-[[2-[[4-(2-pyridylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[4-[[oxo-(2-pyridinylmethylamino)methyl]amino]-2-pyrimidinyl]methyl]amino]ethyl]amino]-4-pentynoic acid IUPAC Name: 3-[[2-[[4-(pyridin-2-ylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 3-[[2-[[4-(2-pyridylmethylcarbamoylamino)pyrimidine-2-carbonyl]amino]acetyl]amino]pent-4-ynoic acid Formula: C19H19N7O5 MolecularWeight: 425.39806

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CNC(=O)C1=NC=CC(=N1)NC(=O)NCC2=CC=CC=N2

Isomeric SMILES

C#CC(CC(=O)O)NC(=O)CNC(=O)C1=NC=CC(=N1)NC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C19H19N7O5/c1-2-12(9-16(28)29)24-15(27)11-22-18(30)17-21-8-6-14(25-17)26-19(31)23-10-13-5-3-4-7-20-13/h1,3-8,12H,9-11H2,(H,22,30)(H,24,27)(H,28,29)(H2,21,23,25,26,31)