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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(2-phenoxyethanoylamino)-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-[(2-phenoxyacetyl)amino]-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-[(2-phenoxyacetyl)amino]-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-[(2-phenoxyacetyl)amino]-N-[2-(pyrazinoylamino)ethyl]succinamide Formula: C29H39N9O5 MolecularWeight: 593.67726

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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)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C29H39N9O5/c30-27(31)26(19-5-4-10-32-16-19)37-24(39)15-22(36-25(40)18-43-21-6-2-1-3-7-21)29(42)38(20-8-9-20)14-13-35-28(41)23-17-33-11-12-34-23/h1-3,6-7,11-12,17,19-20,22,26,32H,4-5,8-10,13-16,18H2,(H3,30,31)(H,35,41)(H,36,40)(H,37,39)