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

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-cyclopentylamino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-cyclopentylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propionic acid Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30N6O3/c1-30-21-11-8-17(25(34)31(13-12-23(32)33)19-4-2-3-5-19)14-20(21)29-22(30)15-28-18-9-6-16(7-10-18)24(26)27/h6-11,14,19,28H,2-5,12-13,15H2,1H3,(H3,26,27)(H,32,33)