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

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[hydroxy-[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-[hydroxy-[2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[hydroxy-[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-[homovanilloyl(hydroxy)amino]ethyl ester Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6S/c1-23-14-9-11(3-4-13(14)19)10-15(20)18(22)6-7-24-16(21)12(17)5-8-25-2/h3-4,9,12,19,22H,5-8,10,17H2,1-2H3/t12-/m0/s1