magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid sulfate

Systemtic Name: magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid sulfate Openeye Name: magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid sulfate CAS Name: magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid sulfate IUPAC Name: magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid sulfate Traditional Name: magnesium (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid sulfate Formula: C13H14MgN2O7S MolecularWeight: 366.62946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O.[O-]S(=O)(=O)[O-].[Mg+2]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O.[O-]S(=O)(=O)[O-].[Mg+2]

InChI

InChI=1S/C13H14N2O3.Mg.H2O4S/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;;1-5(2,3)4/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);;(H2,1,2,3,4)/q;+2;/p-2/t12-;;/m0../s1