N-[4-[2-(tert-butylcarbamoyl)-1-oxidanidyl-1-oxidanyl-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)-1-oxidanidyl-1-oxidanyl-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[4-[2-(tert-butylcarbamoyl)-1-hydroxy-1-oxido-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]-1-hydroxy-1-oxido-4-piperidin-1-iumyl]-1-phenylbutyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)-1-hydroxy-1-oxidopiperidin-1-ium-4-yl]-1-phenylbutyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[4-[2-(tert-butylcarbamoyl)-1-hydroxy-1-oxido-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinaldoylamino)succinamide Formula: C34H44N6O6 MolecularWeight: 632.74976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CC[N+]1(O)[O-])CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CC(CC[N+]1(O)[O-])CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C34H44N6O6/c1-34(2,3)39-33(44)29-20-22(18-19-40(29,45)46)10-9-15-26(23-11-5-4-6-12-23)37-32(43)28(21-30(35)41)38-31(42)27-17-16-24-13-7-8-14-25(24)36-27/h4-8,11-14,16-17,22,26,28-29,45H,9-10,15,18-21H2,1-3H3,(H2,35,41)(H,37,43)(H,38,42)(H,39,44)