dimethyl-[1-[[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]methyl]cyclohexyl]ammonium Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1(CCCCC1)[NH+](C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1(CCCCC1)[NH+](C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O2/c1-17(2)20(24-19(26)15-18-11-7-5-8-12-18)21(27)23-16-22(25(3)4)13-9-6-10-14-22/h5,7-8,11-12,17,20H,6,9-10,13-16H2,1-4H3,(H,23,27)(H,24,26)/p+1/t20-/m0/s1