ethyl (2S)-2-[[(2S)-2-ethanoylsulfanyl-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-ethanoylsulfanyl-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(o-tolyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-(acetylthio)-3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(acetylthio)-3-(o-tolyl)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1C)SC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1C)SC(=O)C

InChI

InChI=1S/C19H27NO4S2/c1-5-24-19(23)16(10-11-25-4)20-18(22)17(26-14(3)21)12-15-9-7-6-8-13(15)2/h6-9,16-17H,5,10-12H2,1-4H3,(H,20,22)/t16-,17-/m0/s1