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

Systemtic Name: [2-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C28H44N3O2+ MolecularWeight: 454.66786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)[C@@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C28H43N3O2/c1-5-31(6-2)18-24-10-8-7-9-23(24)17-29-26(32)25(19(3)4)30-27(33)28-14-20-11-21(15-28)13-22(12-20)16-28/h7-10,19-22,25H,5-6,11-18H2,1-4H3,(H,29,32)(H,30,33)/p+1/t20?,21?,22?,25-,28?/m1/s1