2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoylamino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[[2-(4-hydroxy-3-methoxy-phenyl)acetyl]amino]ethyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid 2-[[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-(homovanilloylamino)ethyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NCCOC(=O)C(CCSC)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NCCOC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C16H24N2O5S/c1-22-14-9-11(3-4-13(14)19)10-15(20)18-6-7-23-16(21)12(17)5-8-24-2/h3-4,9,12,19H,5-8,10,17H2,1-2H3,(H,18,20)/t12-/m0/s1