(N,N'-dicyclohexylcarbamimidoyl) 4-oxidanylidene-4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]butanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 4-oxidanylidene-4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]butanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]butanoate CAS Name: 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]butanoic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 4-oxo-4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]butanoate Traditional Name: 4-keto-4-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]butyric acid (N,N'-dicyclohexylamidino) ester Formula: C28H40N6O4 MolecularWeight: 524.655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C28H40N6O4/c35-24(29-18-9-19-30-26-22-14-7-8-15-23(22)27(37)34-33-26)16-17-25(36)38-28(31-20-10-3-1-4-11-20)32-21-12-5-2-6-13-21/h7-8,14-15,20-21H,1-6,9-13,16-19H2,(H,29,35)(H,30,33)(H,31,32)(H,34,37)