3-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C13H23ClN4O4 MolecularWeight: 334.79912

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)C(CC1=CN=CN1)N.Cl

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])OC(=O)[C@H](CC1=CN=CN1)N.Cl

InChI

InChI=1S/C13H22N4O4.ClH/c1-17(2,3)7-10(5-12(18)19)21-13(20)11(14)4-9-6-15-8-16-9;/h6,8,10-11H,4-5,7,14H2,1-3H3,(H-,15,16,18,19);1H/t10?,11-;/m0./s1