3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]-methyl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]-methyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]-methyl-amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]-methylamino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]-methylamino]-3-oxopropanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]-methyl-amino]-3-keto-propionic acid Formula: C28H36N7O4+ MolecularWeight: 534.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)N(C)C(=O)CC(=O)O)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)N(C)C(=O)CC(=O)O)C(=O)N4CCCC4

InChI

InChI=1S/C28H35N7O4/c1-28(2,27(39)34-13-5-6-14-34)19-9-12-22-21(15-19)32-23(35(22,4)33(3)24(36)16-25(37)38)17-31-20-10-7-18(8-11-20)26(29)30/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H4-,29,30,31,37,38)/p+1