[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(1S,2S)-2-methylcyclohexyl]azanium

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C21H36N3O2+ MolecularWeight: 362.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35N3O2/c1-13-5-3-4-6-18(13)22-14(2)19(25)23-20(26)24-21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18,22H,3-12H2,1-2H3,(H2,23,24,25,26)/p+1/t13-,14-,15?,16?,17?,18-,21?/m0/s1