ethyl (2S)-4-methylsulfanyl-2-[2-(phenylmethylsulfanyl)propanoylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[2-(phenylmethylsulfanyl)propanoylamino]butanoate Openeye Name: ethyl (2S)-2-(2-benzylsulfanylpropanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(phenylmethylthio)propyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2-benzylsulfanylpropanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(benzylthio)propanoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C17H25NO3S2 MolecularWeight: 355.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(C)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C(C)SCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO3S2/c1-4-21-17(20)15(10-11-22-3)18-16(19)13(2)23-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,19)/t13?,15-/m0/s1