methyl (2S)-4-methylsulfanyl-2-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(2R)-2-phenyl-2-phenylsulfanyl-acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2R)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2R)-2-phenyl-2-(phenylthio)acetyl]amino]butyric acid methyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@@H](C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S2/c1-24-20(23)17(13-14-25-2)21-19(22)18(15-9-5-3-6-10-15)26-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3,(H,21,22)/t17-,18+/m0/s1