methyl (E)-3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]but-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]but-2-enoate Openeye Name: methyl (E)-3-bromo-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]but-2-enoate CAS Name: (E)-3-bromo-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]but-2-enoate Traditional Name: (E)-3-bromo-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]but-2-enoic acid methyl ester Formula: C12H19BrN2O5 MolecularWeight: 351.19366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)CNC(=O)OC(C)(C)C)Br

Isomeric SMILES

C/C(=C(/C(=O)OC)\NC(=O)CNC(=O)OC(C)(C)C)/Br

InChI

InChI=1S/C12H19BrN2O5/c1-7(13)9(10(17)19-5)15-8(16)6-14-11(18)20-12(2,3)4/h6H2,1-5H3,(H,14,18)(H,15,16)/b9-7+