2-[(1-oxidanidylquinolin-1-ium-2-yl)carbonylamino]-N-[2-oxidanyl-4-phenyl-1-(pyrrolidin-2-ylcarbonylamino)butyl]butanediamide

Systemtic Name: 2-[(1-oxidanidylquinolin-1-ium-2-yl)carbonylamino]-N-[2-oxidanyl-4-phenyl-1-(pyrrolidin-2-ylcarbonylamino)butyl]butanediamide Openeye Name: N-[2-hydroxy-4-phenyl-1-(pyrrolidine-2-carbonylamino)butyl]-2-[(1-oxidoquinolin-1-ium-2-carbonyl)amino]butanediamide CAS Name: N-[2-hydroxy-1-[[oxo(2-pyrrolidinyl)methyl]amino]-4-phenylbutyl]-2-[[(1-oxido-2-quinolin-1-iumyl)-oxomethyl]amino]butanediamide IUPAC Name: N-[2-hydroxy-4-phenyl-1-(pyrrolidine-2-carbonylamino)butyl]-2-[(1-oxidoquinolin-1-ium-2-carbonyl)amino]butanediamide Traditional Name: N-[2-hydroxy-4-phenyl-1-(prolylamino)butyl]-2-[(1-oxidoquinolin-1-ium-2-carbonyl)amino]succinamide Formula: C29H34N6O6 MolecularWeight: 562.61686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=[N+](C4=CC=CC=C4C=C3)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)NC(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=[N+](C4=CC=CC=C4C=C3)[O-]

InChI

InChI=1S/C29H34N6O6/c30-25(37)17-21(32-29(40)23-14-13-19-9-4-5-11-22(19)35(23)41)28(39)34-26(33-27(38)20-10-6-16-31-20)24(36)15-12-18-7-2-1-3-8-18/h1-5,7-9,11,13-14,20-21,24,26,31,36H,6,10,12,15-17H2,(H2,30,37)(H,32,40)(H,33,38)(H,34,39)