[2-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(2S)-2-benzamido-4-(methylthio)-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(2S)-2-benzamido-4-methylsulfanylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(2S)-2-benzamido-4-(methylthio)butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-25(2)16-19-12-8-7-11-18(19)15-23-22(27)20(13-14-28-3)24-21(26)17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,23,27)(H,24,26)/p+1/t20-/m0/s1