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

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

Systemtic Name:2-[(1-oxidanidylquinolin-1-ium-2-yl)carbonylamino]-N-[2-oxidanyl-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]butanediamide
Openeye Name:N-[2-hydroxy-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]-2-[(1-oxidoquinolin-1-ium-2-carbonyl)amino]butanediamide
CAS Name:N-[2-hydroxy-2-[oxo-(4-phenylbutylamino)methyl]-1-pyrrolidinyl]-2-[[(1-oxido-2-quinolin-1-iumyl)-oxomethyl]amino]butanediamide
IUPAC Name:N-[2-hydroxy-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]-2-[(1-oxidoquinolin-1-ium-2-carbonyl)amino]butanediamide
Traditional Name:N-[2-hydroxy-2-(4-phenylbutylcarbamoyl)pyrrolidino]-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(N(C1)NC(=O)C(CC(=O)N)NC(=O)C2=[N+](C3=CC=CC=C3C=C2)[O-])(C(=O)NCCCCC4=CC=CC=C4)O


Isomeric SMILES

C1CC(N(C1)NC(=O)C(CC(=O)N)NC(=O)C2=[N+](C3=CC=CC=C3C=C2)[O-])(C(=O)NCCCCC4=CC=CC=C4)O


InChI

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


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