6-bromanyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-bromanyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-bromo-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-bromo-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C16H20BrN3O4 MolecularWeight: 398.2517

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C1N=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C1N=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H20BrN3O4/c1-9(8-18-15(23)24-16(2,3)4)20-11(14(21)22)7-10-5-6-12(17)19-13(10)20/h5-7,9H,8H2,1-4H3,(H,18,23)(H,21,22)