9,10-diaminocarbonyl-3,4-bis[N'-(2,2-dimethyl-3-oxidanyl-propyl)carbamimidoyl]perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis[N'-(2,2-dimethyl-3-oxidanyl-propyl)carbamimidoyl]perylene-1-carboxylic acid Openeye Name: 9,10-dicarbamoyl-3,4-bis[N'-(3-hydroxy-2,2-dimethyl-propyl)carbamimidoyl]perylene-1-carboxylic acid CAS Name: 3,4-bis[amino-(3-hydroxy-2,2-dimethylpropyl)iminomethyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 9,10-dicarbamoyl-3,4-bis[N'-(3-hydroxy-2,2-dimethylpropyl)carbamimidoyl]perylene-1-carboxylic acid Traditional Name: 9,10-dicarbamoyl-3,4-bis[N'-(3-hydroxy-2,2-dimethyl-propyl)amidino]perylene-1-carboxylic acid Formula: C35H38N6O6 MolecularWeight: 638.71282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NCC(C)(C)CO)N)N)CO

Isomeric SMILES

CC(C)(CN=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NCC(C)(C)CO)N)N)CO

InChI

InChI=1S/C35H38N6O6/c1-34(2,14-42)12-40-29(36)19-8-5-17-16-6-9-20(31(38)44)27-21(32(39)45)10-7-18(24(16)27)25-23(33(46)47)11-22(26(19)28(17)25)30(37)41-13-35(3,4)15-43/h5-11,42-43H,12-15H2,1-4H3,(H2,36,40)(H2,37,41)(H2,38,44)(H2,39,45)(H,46,47)