3-[(2R)-4-[6-[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)propanoylamino]-5H-indol-1-ium-1-yl]-1-oxidanyl-butan-2-yl]-1H-imidazol-3-ium-5-carboxamide

Systemtic Name: 3-[(2R)-4-[6-[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)propanoylamino]-5H-indol-1-ium-1-yl]-1-oxidanyl-butan-2-yl]-1H-imidazol-3-ium-5-carboxamide Openeye Name: 3-[(1R)-1-(hydroxymethyl)-3-[6-[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)propanoylamino]-5H-indol-1-ium-1-yl]propyl]-1H-imidazol-3-ium-5-carboxamide CAS Name: 3-[(2R)-1-hydroxy-4-[6-[[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)-1-oxopropyl]amino]-5H-indol-1-ium-1-yl]butan-2-yl]-1H-imidazol-3-ium-5-carboxamide IUPAC Name: 3-[(2R)-1-hydroxy-4-[6-[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)propanoylamino]-5H-indol-1-ium-1-yl]butan-2-yl]-1H-imidazol-3-ium-5-carboxamide Traditional Name: 3-[(1R)-3-[6-[3-(1-methyl-2H-benzimidazol-1-ium-2-yl)propanoylamino]-5H-indol-1-ium-1-yl]-1-methylol-propyl]-1H-imidazol-3-ium-5-carboxamide Formula: C27H32N7O3+3 MolecularWeight: 502.58808

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=NC1CCC(=O)NC3=CC4=[N+](C=CC4=CC3)CCC(CO)[N+]5=CNC(=C5)C(=O)N

Isomeric SMILES

C[N+]1=C2C=CC=CC2=NC1CCC(=O)NC3=CC4=[N+](C=CC4=CC3)CC[C@H](CO)[N+]5=CNC(=C5)C(=O)N

InChI

InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-6,10,12,14-15,17,20,25,35H,7-9,11,13,16H2,1H3,(H-,28,37)/p+3/t20-,25?/m1/s1