[2-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [2-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]oxy-3-carboxy-4-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-3-carboxy-4-oxo-pentyl]-trimethyl-ammonium CAS Name: [2-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropoxy]-3-carboxy-4-oxopentyl]-trimethylammonium IUPAC Name: [2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-3-carboxy-4-oxopentyl]-trimethylazanium Traditional Name: [2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-3-carboxy-4-keto-pentyl]-trimethyl-ammonium Formula: C20H28N3O5+ MolecularWeight: 390.45342

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/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/p+1/t15-,17?,18?/m0/s1