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

Systemtic Name: 3-pyridin-3-yl-3-[2-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[3-(4-pyridylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]phenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[3-(pyridin-4-ylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[3-(4-pyridylmethylcarbamoylamino)benzoyl]amino]acetyl]amino]propionic acid Formula: C24H24N6O5 MolecularWeight: 476.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=CC=NC=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=CC=NC=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C24H24N6O5/c31-21(30-20(12-22(32)33)18-4-2-8-26-14-18)15-27-23(34)17-3-1-5-19(11-17)29-24(35)28-13-16-6-9-25-10-7-16/h1-11,14,20H,12-13,15H2,(H,27,34)(H,30,31)(H,32,33)(H2,28,29,35)