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

Systemtic Name: 3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C20H28ClN3O5 MolecularWeight: 425.90642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C[N+](C)(C)C)OC(=O)C(CC1=CNC2=CC=CC=C21)N)C(=O)[O-].Cl

Isomeric SMILES

CC(=O)C(C(C[N+](C)(C)C)OC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)C(=O)[O-].Cl

InChI

InChI=1S/C20H27N3O5.ClH/c1-12(24)18(19(25)26)17(11-23(2,3)4)28-20(27)15(21)9-13-10-22-16-8-6-5-7-14(13)16;/h5-8,10,15,17-18,22H,9,11,21H2,1-4H3;1H/t15-,17?,18?;/m0./s1