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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(2-oxidanylidenepropanoylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[2-(2-oxopropanoylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-N-[2-(1,2-dioxopropylamino)ethyl]-2-(2-naphthalenylsulfonylamino)butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(2-oxopropanoylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-(2-pyruvamidoethyl)succinamide Formula: C29H39N7O6S MolecularWeight: 613.72826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)NCCN(C1CC1)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)C(=O)NCCN(C1CC1)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H39N7O6S/c1-18(37)28(39)33-13-14-36(22-9-10-22)29(40)24(16-25(38)34-26(27(30)31)21-7-4-12-32-17-21)35-43(41,42)23-11-8-19-5-2-3-6-20(19)15-23/h2-3,5-6,8,11,15,21-22,24,26,32,35H,4,7,9-10,12-14,16-17H2,1H3,(H3,30,31)(H,33,39)(H,34,38)