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

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-ium-1-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1-methyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-3-keto-propionic acid Formula: C26H32N7O4+ MolecularWeight: 506.57678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N7O4/c1-16(26(37)32-11-3-4-12-32)18-7-10-21-20(13-18)30-22(33(21,2)31-23(34)14-24(35)36)15-29-19-8-5-17(6-9-19)25(27)28/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H5-,27,28,29,31,34,35,36)/p+1