(2S)-2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-butyrate Formula: C15H19BrNO4- MolecularWeight: 357.21966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-8(2)13(15(19)20)17-12(18)7-21-14-9(3)5-11(16)6-10(14)4/h5-6,8,13H,7H2,1-4H3,(H,17,18)(H,19,20)/p-1/t13-/m0/s1