S-[3-[[2-azanyl-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-[[2-azanyl-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[3-[[2-amino-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-2-benzyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[2-amino-3-[(methylthio)methylthio]-1-oxopropyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[3-[[2-amino-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-2-benzyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[2-amino-3-[(methylthio)methylthio]propanoyl]amino]-2-benzyl-3-keto-propyl] ester Formula: C17H24N2O3S3 MolecularWeight: 400.57906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(=O)C(CSCSC)N

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(=O)C(CSCSC)N

InChI

InChI=1S/C17H24N2O3S3/c1-12(20)25-9-14(8-13-6-4-3-5-7-13)16(21)19-17(22)15(18)10-24-11-23-2/h3-7,14-15H,8-11,18H2,1-2H3,(H,19,21,22)