2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-indan-1-yl-propanoyl)amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-2-(2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-2-(2,3-dihydro-1H-inden-1-yl)propanoyl]amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-indan-1-yl-propanoyl]amino]propionic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CSC(=O)C)C1CCC2=CC=CC=C12

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CSC(=O)C)C1CCC2=CC=CC=C12

InChI

InChI=1S/C17H21NO4S/c1-10(17(21)22)18-16(20)15(9-23-11(2)19)14-8-7-12-5-3-4-6-13(12)14/h3-6,10,14-15H,7-9H2,1-2H3,(H,18,20)(H,21,22)