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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(2-naphthylsulfonylamino)butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-naphthalenylsulfonylamino)butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-(cyclopropylamino)-2-keto-ethyl]-2-(2-naphthylsulfonylamino)succinamide Formula: C29H39N7O5S MolecularWeight: 597.72886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CC(=O)NC2CC2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CC(=O)NC2CC2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H39N7O5S/c30-28(31)27(20-6-3-13-32-16-20)34-25(37)15-24(29(39)36(22-10-11-22)17-26(38)33-21-8-9-21)35-42(40,41)23-12-7-18-4-1-2-5-19(18)14-23/h1-2,4-5,7,12,14,20-22,24,27,32,35H,3,6,8-11,13,15-17H2,(H3,30,31)(H,33,38)(H,34,37)