9,10-diaminocarbonyl-4-carbamimidoyl-3-[N'-(2-ethylhexyl)carbamimidoyl]perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-4-carbamimidoyl-3-[N'-(2-ethylhexyl)carbamimidoyl]perylene-1-carboxylic acid Openeye Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-[N'-(2-ethylhexyl)carbamimidoyl]perylene-1-carboxylic acid CAS Name: 3-[amino(2-ethylhexylimino)methyl]-4-carbamimidoyl-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-[N'-(2-ethylhexyl)carbamimidoyl]perylene-1-carboxylic acid Traditional Name: 4-amidino-9,10-dicarbamoyl-3-[N'-(2-ethylhexyl)amidino]perylene-1-carboxylic acid Formula: C33H34N6O4 MolecularWeight: 578.66086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN=C(C1=CC(=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C1=C(C=C5)C(=N)N)C(=O)N)C(=O)N)C(=O)O)N

Isomeric SMILES

CCCCC(CC)CN=C(C1=CC(=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C1=C(C=C5)C(=N)N)C(=O)N)C(=O)N)C(=O)O)N

InChI

InChI=1S/C33H34N6O4/c1-3-5-6-15(4-2)14-39-30(36)22-13-23(33(42)43)25-18-9-12-21(32(38)41)27-20(31(37)40)11-8-16(24(18)27)17-7-10-19(29(34)35)26(22)28(17)25/h7-13,15H,3-6,14H2,1-2H3,(H3,34,35)(H2,36,39)(H2,37,40)(H2,38,41)(H,42,43)