3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-cyclopropyl-1-methyl-benzimidazol-1-ium-1-yl]carbonylpyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-cyclopropyl-1-methyl-benzimidazol-1-ium-1-yl]carbonylpyrrolidin-2-yl]propanoic acid Openeye Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-5-cyclopropyl-1-methyl-benzimidazol-1-ium-1-carbonyl]pyrrolidin-2-yl]propanoic acid CAS Name: 3-[1-[[2-[(4-carbamimidoylanilino)methyl]-5-cyclopropyl-1-methyl-1-benzimidazol-1-iumyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-5-cyclopropyl-1-methylbenzimidazol-1-ium-1-carbonyl]pyrrolidin-2-yl]propanoic acid Traditional Name: 3-[1-[2-[(4-amidinoanilino)methyl]-5-cyclopropyl-1-methyl-benzimidazol-1-ium-1-carbonyl]pyrrolidin-2-yl]propionic acid Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)C3CC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C(=O)N5CCCC5CCC(=O)O

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)C3CC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C(=O)N5CCCC5CCC(=O)O

InChI

InChI=1S/C27H32N6O3/c1-33(27(36)32-14-2-3-21(32)11-13-25(34)35)23-12-8-19(17-4-5-17)15-22(23)31-24(33)16-30-20-9-6-18(7-10-20)26(28)29/h6-10,12,15,17,21H,2-5,11,13-14,16H2,1H3,(H4-,28,29,30,34,35)/p+1