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

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-(2-methylpropyl)amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]-(2-methylpropyl)amino]propanoic acid Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propionic acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(C)CN(CCC(=O)O)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C24H29N5O3/c1-15(2)14-29(11-10-22(30)31)24(32)18-8-9-20-19(13-18)27-21(28(20)3)12-16-4-6-17(7-5-16)23(25)26/h4-9,13,15H,10-12,14H2,1-3H3,(H3,25,26)(H,30,31)