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

Systemtic Name: 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]pentanoic acid Openeye Name: 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoic acid CAS Name: 5-[2-[(4-carbamimidoylphenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]pentanoic acid IUPAC Name: 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoic acid Traditional Name: 5-[2-(4-amidinobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]valeric acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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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)CCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3/c28-26(29)19-11-9-18(10-12-19)16-24-31-22-17-21(30-27(35)20-6-2-1-3-7-20)13-14-23(22)32(24)15-5-4-8-25(33)34/h9-14,17,20H,1-8,15-16H2,(H3,28,29)(H,30,35)(H,33,34)