3-[2,3-bis(oxidanyl)propyl-[[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]amino]propane-1,2-diol

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-[[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]amino]propane-1,2-diol Openeye Name: 3-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol CAS Name: 3-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol IUPAC Name: 3-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl-(2,3-dihydroxypropyl)amino]propane-1,2-diol Traditional Name: 3-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzyl]-glyceryl-amino]propane-1,2-diol Formula: C26H28BrN3O4 MolecularWeight: 526.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)CN(CC(CO)O)CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)CN(CC(CO)O)CC(CO)O

InChI

InChI=1S/C26H28BrN3O4/c27-20-10-23-24(25(29-26(23)28-11-20)19-4-2-1-3-5-19)18-8-6-17(7-9-18)12-30(13-21(33)15-31)14-22(34)16-32/h1-11,21-22,31-34H,12-16H2,(H,28,29)