1-[(2R)-1-oxidanyl-4-[6-(5-phenylpentanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanyl-4-[6-(5-phenylpentanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-(5-phenylpentanoylamino)-5H-indol-1-ium-1-yl]propyl]-2H-imidazol-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[(1-oxo-5-phenylpentyl)amino]-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-(5-phenylpentanoylamino)-5H-indol-1-ium-1-yl]butan-2-yl]-2H-imidazol-1-ium-4-carboxamide Traditional Name: 1-[(1R)-1-methylol-3-[6-(5-phenylpentanoylamino)-5H-indol-1-ium-1-yl]propyl]-2H-imidazol-1-ium-4-carboxamide Formula: C27H33N5O3+2 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=C[N+](=C2C=C1NC(=O)CCCCC3=CC=CC=C3)CCC(CO)[N+]4=CC(=NC4)C(=O)N

Isomeric SMILES

C1C=C2C=C[N+](=C2C=C1NC(=O)CCCCC3=CC=CC=C3)CC[C@H](CO)[N+]4=CC(=NC4)C(=O)N

InChI

InChI=1S/C27H31N5O3/c28-27(35)24-17-32(19-29-24)23(18-33)13-15-31-14-12-21-10-11-22(16-25(21)31)30-26(34)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,10,12,14,16-17,23,33H,4-5,8-9,11,13,15,18-19H2,(H-,28,35)/p+2/t23-/m1/s1