3-(1H-indol-3-yl)-2-(2-methylsulfanylethanoylamino)propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(2-methylsulfanylethanoylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(2-methylsulfanylacetyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(methylthio)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2-methylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(methylthio)acetyl]amino]propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CSCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-20-8-13(17)16-12(14(18)19)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6,8H2,1H3,(H,16,17)(H,18,19)