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

Systemtic Name: 3-phenyl-3-[2-[[4-(pyridin-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-phenyl-3-[2-[[4-(2-pyridylamino)benzoyl]amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[2-[[oxo-[4-(2-pyridinylamino)phenyl]methyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[2-[[4-(pyridin-2-ylamino)benzoyl]amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-phenyl-3-[[2-[[4-(2-pyridylamino)benzoyl]amino]phenyl]thio]propionic acid Formula: C27H23N3O3S MolecularWeight: 469.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)NC4=CC=CC=N4

InChI

InChI=1S/C27H23N3O3S/c31-26(32)18-24(19-8-2-1-3-9-19)34-23-11-5-4-10-22(23)30-27(33)20-13-15-21(16-14-20)29-25-12-6-7-17-28-25/h1-17,24H,18H2,(H,28,29)(H,30,33)(H,31,32)