ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[(methylthio)methylthio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(methylsulfanylmethylsulfanyl)propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-[(methylthio)methylthio]propionic acid ethyl ester Formula: C19H27NO4S3 MolecularWeight: 429.61698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCSC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CSCSC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C19H27NO4S3/c1-4-24-19(23)17(12-26-13-25-3)20-18(22)16(11-27-14(2)21)10-15-8-6-5-7-9-15/h5-9,16-17H,4,10-13H2,1-3H3,(H,20,22)