3-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S,3S)-2-amino-3-methyl-pentanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S,3S)-2-amino-3-methyl-1-oxopentoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S,3S)-2-amino-3-methyl-pentanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C15H29ClN2O5 MolecularWeight: 352.85416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N2O5.ClH/c1-7-9(2)13(16)15(21)22-11(8-17(4,5)6)12(10(3)18)14(19)20;/h9,11-13H,7-8,16H2,1-6H3;1H/t9-,11?,12?,13-;/m0./s1