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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-10(19)23-7-6-15(20)18-14(16(21)22)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,14,17H,6-8H2,1H3,(H,18,20)(H,21,22)