6-[3,4-diaminocarbonyl-9,10-bis(N'-cyclohexylcarbamimidoyl)-7-hexyl-perylen-1-yl]hexanoic acid

Systemtic Name: 6-[3,4-diaminocarbonyl-9,10-bis(N'-cyclohexylcarbamimidoyl)-7-hexyl-perylen-1-yl]hexanoic acid Openeye Name: 6-[3,4-dicarbamoyl-9,10-bis(N'-cyclohexylcarbamimidoyl)-7-hexyl-perylen-1-yl]hexanoic acid CAS Name: 6-[9,10-bis[amino(cyclohexylimino)methyl]-3,4-dicarbamoyl-7-hexyl-1-perylenyl]hexanoic acid IUPAC Name: 6-[3,4-dicarbamoyl-9,10-bis(N'-cyclohexylcarbamimidoyl)-7-hexylperylen-1-yl]hexanoic acid Traditional Name: 6-[3,4-dicarbamoyl-9,10-bis(N'-cyclohexylamidino)-7-hexyl-perylen-1-yl]hexanoic acid Formula: C48H60N6O4 MolecularWeight: 785.0278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C3=C4C(=C(C=C(C4=C(C=C3)C(=O)N)C(=O)N)CCCCCC(=O)O)C5=C2C(=C(C=C5)C(=NC6CCCCC6)N)C(=C1)C(=NC7CCCCC7)N

Isomeric SMILES

CCCCCCC1=C2C3=C4C(=C(C=C(C4=C(C=C3)C(=O)N)C(=O)N)CCCCCC(=O)O)C5=C2C(=C(C=C5)C(=NC6CCCCC6)N)C(=C1)C(=NC7CCCCC7)N

InChI

InChI=1S/C48H60N6O4/c1-2-3-4-8-15-28-26-36(46(50)54-31-19-12-7-13-20-31)41-34(45(49)53-30-17-10-6-11-18-30)24-22-32-40-29(16-9-5-14-21-38(55)56)27-37(48(52)58)42-35(47(51)57)25-23-33(44(40)42)39(28)43(32)41/h22-27,30-31H,2-21H2,1H3,(H2,49,53)(H2,50,54)(H2,51,57)(H2,52,58)(H,55,56)