2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[(methylthio)methylthio]propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-[(methylthio)methylthio]propionic acid Formula: C17H23NO4S3 MolecularWeight: 401.56382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S3/c1-12(19)25-9-14(8-13-6-4-3-5-7-13)16(20)18-15(17(21)22)10-24-11-23-2/h3-7,14-15H,8-11H2,1-2H3,(H,18,20)(H,21,22)