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

Systemtic Name: 3-(1H-indol-3-yl)-2-(3-methylsulfanylpropanoylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(3-methylsulfanylpropanoylamino)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-(methylthio)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(3-methylsulfanylpropanoylamino)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[3-(methylthio)propanoylamino]propionic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-21-7-6-14(18)17-13(15(19)20)8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,13,16H,6-8H2,1H3,(H,17,18)(H,19,20)