[1-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-2-methyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [1-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-2-methyl-propan-2-yl]-diethyl-azanium Openeye Name: [2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-1,1-dimethyl-ethyl]-diethyl-ammonium CAS Name: [1-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-2-methylpropan-2-yl]-diethylammonium IUPAC Name: [1-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-2-methylpropan-2-yl]-diethylazanium Traditional Name: [2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-1,1-dimethyl-ethyl]-diethyl-ammonium Formula: C13H31N3OS+2 MolecularWeight: 277.46974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C)(C)CNC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC[NH+](CC)C(C)(C)CNC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H29N3OS/c1-6-16(7-2)13(3,4)10-15-12(17)11(14)8-9-18-5/h11H,6-10,14H2,1-5H3,(H,15,17)/p+2/t11-/m0/s1