5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoic acid

Systemtic Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoic acid Openeye Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]pentanoic acid CAS Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]pentanoic acid IUPAC Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]pentanoic acid Traditional Name: 5-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]valeric acid Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCN(CCCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H29N5O4S/c1-3-28(13-5-4-6-22(29)30)33(31,32)18-11-12-20-19(15-18)26-21(27(20)2)14-16-7-9-17(10-8-16)23(24)25/h7-12,15H,3-6,13-14H2,1-2H3,(H3,24,25)(H,29,30)