4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(4-amidinobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]butyric acid Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CCCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CCCC(=O)O

InChI

InChI=1S/C26H31N5O3/c27-25(28)18-10-8-17(9-11-18)15-23-30-21-16-20(29-26(34)19-5-2-1-3-6-19)12-13-22(21)31(23)14-4-7-24(32)33/h8-13,16,19H,1-7,14-15H2,(H3,27,28)(H,29,34)(H,32,33)