ethyl (2S)-2-[[(2R)-2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[[(2R)-2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[[(2R)-2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2R)-2-(acetylsulfanylmethyl)-4-phenylbutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-2-[(acetylthio)methyl]-4-phenyl-butanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CCC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](CCC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C20H29NO4S2/c1-4-25-20(24)18(12-13-26-3)21-19(23)17(14-27-15(2)22)11-10-16-8-6-5-7-9-16/h5-9,17-18H,4,10-14H2,1-3H3,(H,21,23)/t17-,18-/m0/s1