3-pyridin-3-yl-3-[4-[[4-(pyridin-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[4-[[4-(pyridin-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[4-[[4-(2-pyridylamino)benzoyl]amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[4-[[oxo-[4-(2-pyridinylamino)phenyl]methyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[4-[[4-(pyridin-2-ylamino)benzoyl]amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[4-[[4-(2-pyridylamino)benzoyl]amino]phenyl]thio]propionic acid Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C26H22N4O3S/c31-25(32)16-23(19-4-3-14-27-17-19)34-22-12-10-21(11-13-22)30-26(33)18-6-8-20(9-7-18)29-24-5-1-2-15-28-24/h1-15,17,23H,16H2,(H,28,29)(H,30,33)(H,31,32)