methyl (2S)-4-methylsulfanyl-2-[3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[3-(5-phenethyl-1,3,4-oxadiazol-2-yl)propanoylamino]butyric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCC1=NN=C(O1)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCC1=NN=C(O1)CCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O4S/c1-25-19(24)15(12-13-27-2)20-16(23)9-11-18-22-21-17(26-18)10-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,23)/t15-/m0/s1