2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropanecarbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]cyclopropyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]cyclopropanecarbonyl]-methylamino]acetic acid Traditional Name: 2-[[1-[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]cyclopropanecarbonyl]-methyl-amino]acetic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N(C)CC(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N(C)CC(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H25N5O3/c1-27(13-20(29)30)22(31)23(9-10-23)16-7-8-18-17(12-16)26-19(28(18)2)11-14-3-5-15(6-4-14)21(24)25/h3-8,12H,9-11,13H2,1-2H3,(H3,24,25)(H,29,30)