3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoic acid

Systemtic Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoic acid Openeye Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propanoic acid CAS Name: 3-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-cyclopentylamino]propanoic acid IUPAC Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-cyclopentylamino]propanoic acid Traditional Name: 3-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propionic acid Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3CCCC3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3CCCC3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H31N5O3/c1-30-22-12-11-19(26(34)31(15-14-24(32)33)20-4-2-3-5-20)16-21(22)29-23(30)13-8-17-6-9-18(10-7-17)25(27)28/h6-7,9-12,16,20H,2-5,8,13-15H2,1H3,(H3,27,28)(H,32,33)