methyl (2S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO6/c1-10(2)5-13(17(22)24-4)19-16(21)9-25-15-6-11(8-20)12(18)7-14(15)23-3/h6-8,10,13H,5,9H2,1-4H3,(H,19,21)/t13-/m0/s1