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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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