(2S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[3-[2-hydroxyethyl(methyl)ammonio]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-[2-hydroxyethyl(methyl)ammonio]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-[2-hydroxyethyl(methyl)ammonio]propanoylamino]-4-(methylthio)butyrate Formula: C11H22N2O4S MolecularWeight: 278.36838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O4S/c1-13(6-7-14)5-3-10(15)12-9(11(16)17)4-8-18-2/h9,14H,3-8H2,1-2H3,(H,12,15)(H,16,17)/t9-/m0/s1