methyl (2S,3R)-2-[2-[2-(3-bromanylphenoxy)ethanoyloxy]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3R)-2-[2-[2-(3-bromanylphenoxy)ethanoyloxy]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3R)-2-[[2-[2-(3-bromophenoxy)acetyl]oxyacetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-[2-(3-bromophenoxy)-1-oxoethoxy]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[[2-[2-(3-bromophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-[2-(3-bromophenoxy)acetyl]oxyacetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)COC1=CC(=CC=C1)Br

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)COC(=O)COC1=CC(=CC=C1)Br

InChI

InChI=1S/C17H22BrNO6/c1-4-11(2)16(17(22)23-3)19-14(20)9-25-15(21)10-24-13-7-5-6-12(18)8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,20)/t11-,16+/m1/s1