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

Systemtic Name: (2R)-2-[[2-[ethyl(2-hydroxyethyl)azaniumyl]-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-[ethyl(2-hydroxyethyl)ammonio]-2-methyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[ethyl(2-hydroxyethyl)ammonio]-2-methyl-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-[ethyl(2-hydroxyethyl)azaniumyl]-2-methylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[ethyl(2-hydroxyethyl)ammonio]-2-methyl-propanoyl]amino]-4-(methylthio)butyrate Formula: C13H26N2O4S MolecularWeight: 306.42154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O4S/c1-5-15(7-8-16)13(2,3)12(19)14-10(11(17)18)6-9-20-4/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18)/t10-/m1/s1