methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N2O2S/c1-16(24)20(13-17-7-5-4-6-8-17)22-21(25)15-23(2)14-18-9-11-19(26-3)12-10-18/h4-12,20H,13-15H2,1-3H3,(H,22,25)/p+1/t20-/m0/s1