[2-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O2/c1-17(2)23(24(30)27-15-21-7-5-6-8-22(21)16-29(3)4)28-25(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,17-20,23H,9-16H2,1-4H3,(H,27,30)(H,28,31)/p+1/t18?,19?,20?,23-,26?/m1/s1