S-[2-[[3-ethanoylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-ethanoylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[[3-acetylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[3-(acetylthio)-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[3-acetylsulfanyl-2-(2-methylpropanoylamino)propanoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[3-(acetylthio)-2-(isobutyrylamino)propanoyl]amino]ethyl] ester Formula: C13H22N2O4S2 MolecularWeight: 334.45478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(=O)C)C(=O)NCCSC(=O)C

Isomeric SMILES

CC(C)C(=O)NC(CSC(=O)C)C(=O)NCCSC(=O)C

InChI

InChI=1S/C13H22N2O4S2/c1-8(2)12(18)15-11(7-21-10(4)17)13(19)14-5-6-20-9(3)16/h8,11H,5-7H2,1-4H3,(H,14,19)(H,15,18)