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

Systemtic Name: 2-[[3-ethanoylsulfanyl-2-(ethanoylsulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-2-[(acetylthio)methyl]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-[(acetylthio)methyl]propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-11(22)27-9-14(10-28-12(2)23)18(24)21-17(19(25)26)7-13-8-20-16-6-4-3-5-15(13)16/h3-6,8,14,17,20H,7,9-10H2,1-2H3,(H,21,24)(H,25,26)