3-pyridin-3-yl-3-[2-[[5-(pyridin-2-ylmethylcarbamoylamino)thiophen-2-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[2-[[5-(pyridin-2-ylmethylcarbamoylamino)thiophen-2-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[5-(2-pyridylmethylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[5-[[oxo-(2-pyridinylmethylamino)methyl]amino]-2-thiophenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[5-(pyridin-2-ylmethylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[5-(2-pyridylmethylcarbamoylamino)thiophene-2-carbonyl]amino]acetyl]amino]propionic acid Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=CC=C(S2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=CC=C(S2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H22N6O5S/c29-18(27-16(10-20(30)31)14-4-3-8-23-11-14)13-25-21(32)17-6-7-19(34-17)28-22(33)26-12-15-5-1-2-9-24-15/h1-9,11,16H,10,12-13H2,(H,25,32)(H,27,29)(H,30,31)(H2,26,28,33)