2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-10(9-24-11(2)20)16(21)19-15(17(22)23)7-12-8-18-14-6-4-3-5-13(12)14/h3-6,8,10,15,18H,7,9H2,1-2H3,(H,19,21)(H,22,23)