3-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-[(2S)-2-amino-4-methylsulfanyl-butanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-[(2S)-2-amino-4-(methylthio)-1-oxobutoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-[(2S)-2-amino-4-(methylthio)butanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C12H25ClN2O4S MolecularWeight: 328.8559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C(CCSC)N.Cl

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)[C@H](CCSC)N.Cl

InChI

InChI=1S/C12H24N2O4S.ClH/c1-14(2,3)8-9(7-11(15)16)18-12(17)10(13)5-6-19-4;/h9-10H,5-8,13H2,1-4H3;1H/t9?,10-;/m0./s1