5,8-diaminocarbonyl-1,4-bis[N'-(5-oxidanylpentyl)carbamimidoyl]naphthalene-2-carboxylic acid

Systemtic Name: 5,8-diaminocarbonyl-1,4-bis[N'-(5-oxidanylpentyl)carbamimidoyl]naphthalene-2-carboxylic acid Openeye Name: 5,8-dicarbamoyl-1,4-bis[N'-(5-hydroxypentyl)carbamimidoyl]naphthalene-2-carboxylic acid CAS Name: 1,4-bis[amino(5-hydroxypentylimino)methyl]-5,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 5,8-dicarbamoyl-1,4-bis[N'-(5-hydroxypentyl)carbamimidoyl]naphthalene-2-carboxylic acid Traditional Name: 5,8-dicarbamoyl-1,4-bis[N'-(5-hydroxypentyl)amidino]-2-naphthoic acid Formula: C25H34N6O6 MolecularWeight: 514.57406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)N)C(=CC(=C2C(=NCCCCCO)N)C(=O)O)C(=NCCCCCO)N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)N)C(=CC(=C2C(=NCCCCCO)N)C(=O)O)C(=NCCCCCO)N)C(=O)N

InChI

InChI=1S/C25H34N6O6/c26-21(30-9-3-1-5-11-32)16-13-17(25(36)37)20(22(27)31-10-4-2-6-12-33)19-15(24(29)35)8-7-14(18(16)19)23(28)34/h7-8,13,32-33H,1-6,9-12H2,(H2,26,30)(H2,27,31)(H2,28,34)(H2,29,35)(H,36,37)