3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperazinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperazin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-piperazinoethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H29N7O3/c25-22(26)16-1-3-17(4-2-16)23-29-19-15-18(24(34)28-8-7-21(32)33)5-6-20(19)31(23)14-13-30-11-9-27-10-12-30/h1-6,15,27H,7-14H2,(H3,25,26)(H,28,34)(H,32,33)