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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[(4-hydroxy-3-methoxy-benzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid 2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-(vanilloylamino)ethyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5S/c1-21-13-9-10(3-4-12(13)18)14(19)17-6-7-22-15(20)11(16)5-8-23-2/h3-4,9,11,18H,5-8,16H2,1-2H3,(H,17,19)/t11-/m0/s1