5-(5-azanylpentylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 5-(5-azanylpentylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Openeye Name: 5-(5-aminopentylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 5-[(5-aminopentylamino)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 5-(5-aminopentylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(5-aminopentylcarbamoyl)benzoic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCCCCCN)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCCCCCN)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N5O4/c28-14-4-1-5-15-31-25(33)18-10-13-21(23(16-18)27(35)36)20-6-2-3-7-22(20)26(34)32-19-11-8-17(9-12-19)24(29)30/h2-3,6-13,16H,1,4-5,14-15,28H2,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)