3-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S)-2-amino-4-hydroxy-1,4-dioxobutoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C13H23ClN2O7 MolecularWeight: 354.78392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O7.ClH/c1-7(16)11(12(19)20)9(6-15(2,3)4)22-13(21)8(14)5-10(17)18;/h8-9,11H,5-6,14H2,1-4H3,(H-,17,18,19,20);1H/t8-,9?,11?;/m0./s1