(2R)-2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-(methylthio)butyrate Formula: C15H19BrNO4S- MolecularWeight: 389.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(CCSC)C(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N[C@H](CCSC)C(=O)[O-])C)Br

InChI

InChI=1S/C15H20BrNO4S/c1-9-6-11(16)7-10(2)14(9)21-8-13(18)17-12(15(19)20)4-5-22-3/h6-7,12H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)/p-1/t12-/m1/s1