N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]butanediamide

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[2-oxo-1-[(2-phenylacetyl)amino]ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-[2-oxo-1-[(1-oxo-2-phenylethyl)amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-1-[(2-phenylacetyl)amino]ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-keto-1-[(2-phenylacetyl)amino]ethyl]-2-(2-naphthylsulfonylamino)succinamide Formula: C34H41N7O6S MolecularWeight: 675.79764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(C2CC2)C(C=O)NC(=O)CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(C2CC2)C(C=O)NC(=O)CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H41N7O6S/c35-33(36)32(25-11-6-16-37-20-25)39-31(44)19-28(40-48(46,47)27-15-12-23-9-4-5-10-24(23)18-27)34(45)41(26-13-14-26)29(21-42)38-30(43)17-22-7-2-1-3-8-22/h1-5,7-10,12,15,18,21,25-26,28-29,32,37,40H,6,11,13-14,16-17,19-20H2,(H3,35,36)(H,38,43)(H,39,44)