(2S)-2-(5-benzamido-1H-indol-3-yl)-2-[methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate

Systemtic Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[methyl-(2-oxido-2-oxo-ethyl)ammonio]acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[methyl-(2-oxido-2-oxoethyl)ammonio]acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[methyl-(2-oxido-2-oxoethyl)azaniumyl]acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(2-keto-2-oxido-ethyl)-methyl-ammonio]acetate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)[O-])C(C1=CNC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](CC(=O)[O-])[C@@H](C1=CNC2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-23(11-17(24)25)18(20(27)28)15-10-21-16-8-7-13(9-14(15)16)22-19(26)12-5-3-2-4-6-12/h2-10,18,21H,11H2,1H3,(H,22,26)(H,24,25)(H,27,28)/p-1/t18-/m0/s1