3-pyridin-3-yl-3-[2-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[2-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[2-(2-pyridylmethylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-4-thiazolyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[2-(2-pyridylmethylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]propionic acid Formula: C21H21N7O5S MolecularWeight: 483.50034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H21N7O5S/c29-17(26-15(8-18(30)31)13-4-3-6-22-9-13)11-24-19(32)16-12-34-21(27-16)28-20(33)25-10-14-5-1-2-7-23-14/h1-7,9,12,15H,8,10-11H2,(H,24,32)(H,26,29)(H,30,31)(H2,25,27,28,33)