[4-[[[(2S)-2-(aminocarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[(2S)-2-(aminocarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: dimethyl-[[4-[[[(2S)-3-methyl-2-ureido-butanoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: [4-[[[(2S)-2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[(2S)-2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: dimethyl-[4-[[[(2S)-3-methyl-2-ureido-butanoyl]amino]methyl]benzyl]ammonium Formula: C16H27N4O2+ MolecularWeight: 307.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C[NH+](C)C)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+](C)C)NC(=O)N

InChI

InChI=1S/C16H26N4O2/c1-11(2)14(19-16(17)22)15(21)18-9-12-5-7-13(8-6-12)10-20(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,18,21)(H3,17,19,22)/p+1/t14-/m0/s1