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

Systemtic Name: N-[1-[2-(tert-butylcarbamoyl)-1-oxidanidyl-piperidin-1-ium-1-yl]-2-oxidanyl-4-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-[2-(tert-butylcarbamoyl)-1-oxido-piperidin-1-ium-1-yl]-2-hydroxy-4-phenyl-butyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-1-oxido-1-piperidin-1-iumyl]-2-hydroxy-4-phenylbutyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[1-[2-(tert-butylcarbamoyl)-1-oxidopiperidin-1-ium-1-yl]-2-hydroxy-4-phenylbutyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-1-oxido-piperidin-1-ium-1-yl]-2-hydroxy-4-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)C1CCCC[N+]1(C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1CCCC[N+]1(C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)[O-]

InChI

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