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

Systemtic Name: [4-[[[(2S)-2-(aminocarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: diethyl-[[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-diethylammonium IUPAC Name: [4-[[[(2S)-2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[[(2S)-3-methyl-2-ureido-butanoyl]amino]methyl]benzyl]ammonium Formula: C18H31N4O2+ MolecularWeight: 335.46434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C18H30N4O2/c1-5-22(6-2)12-15-9-7-14(8-10-15)11-20-17(23)16(13(3)4)21-18(19)24/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,23)(H3,19,21,24)/p+1/t16-/m0/s1