(2R)-2-[[2-[butyl(ethyl)azaniumyl]-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2-[butyl(ethyl)azaniumyl]-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-[butyl(ethyl)ammonio]-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[butyl(ethyl)ammonio]-2-methyl-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-[butyl(ethyl)azaniumyl]-2-methylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[butyl(ethyl)ammonio]-2-methyl-propanoyl]amino]-4-(methylthio)butyrate Formula: C15H30N2O3S MolecularWeight: 318.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C)(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](CC)C(C)(C)C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H30N2O3S/c1-6-8-10-17(7-2)15(3,4)14(20)16-12(13(18)19)9-11-21-5/h12H,6-11H2,1-5H3,(H,16,20)(H,18,19)/t12-/m1/s1