(2R)-4-methylsulfanyl-2-[2-(2,3,5-trimethylphenoxy)ethanoylamino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[2-(2,3,5-trimethylphenoxy)ethanoylamino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[1-oxo-2-(2,3,5-trimethylphenoxy)ethyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]butyrate Formula: C16H22NO4S- MolecularWeight: 324.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)NC(CCSC)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)N[C@H](CCSC)C(=O)[O-])C)C

InChI

InChI=1S/C16H23NO4S/c1-10-7-11(2)12(3)14(8-10)21-9-15(18)17-13(16(19)20)5-6-22-4/h7-8,13H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)/p-1/t13-/m1/s1