methyl (2S)-4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S2/c1-28-22(26)20(13-14-29-2)24-21(25)19(15-17-9-5-3-6-10-17)16-30-23(27)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3,(H,24,25)/t19-,20+/m1/s1