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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[2-(pyrazinoylamino)ethyl]succinamide Formula: C31H39N9O5S MolecularWeight: 649.76366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H39N9O5S/c32-29(33)28(22-6-3-11-34-18-22)38-27(41)17-25(39-46(44,45)24-10-7-20-4-1-2-5-21(20)16-24)31(43)40(23-8-9-23)15-14-37-30(42)26-19-35-12-13-36-26/h1-2,4-5,7,10,12-13,16,19,22-23,25,28,34,39H,3,6,8-9,11,14-15,17-18H2,(H3,32,33)(H,37,42)(H,38,41)