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

Systemtic Name: 5-(2-azanylethylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]benzoic acid Openeye Name: 5-(2-aminoethylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]benzoic acid CAS Name: 5-[(2-aminoethylamino)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]benzoic acid IUPAC Name: 5-(2-aminoethylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]-5-(2-aminoethylcarbamoyl)benzoic acid Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCCN)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCCN)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H25N5O4/c1-2-15-3-9-19(20-10-6-17(14-22(20)26(34)35)24(32)30-12-11-27)21(13-15)25(33)31-18-7-4-16(5-8-18)23(28)29/h2-10,13-14H,1,11-12,27H2,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)