3-(2-iodanylethanoylamino)-2-[2-(trifluoromethyloxycarbonylamino)pentanoylamino]propanoic acid

Systemtic Name: 3-(2-iodanylethanoylamino)-2-[2-(trifluoromethyloxycarbonylamino)pentanoylamino]propanoic acid Openeye Name: 3-[(2-iodoacetyl)amino]-2-[2-(trifluoromethoxycarbonylamino)pentanoylamino]propanoic acid CAS Name: 3-[(2-iodo-1-oxoethyl)amino]-2-[[1-oxo-2-[[oxo(trifluoromethoxy)methyl]amino]pentyl]amino]propanoic acid IUPAC Name: 3-[(2-iodoacetyl)amino]-2-[2-(trifluoromethoxycarbonylamino)pentanoylamino]propanoic acid Traditional Name: 3-[(2-iodoacetyl)amino]-2-[2-(trifluoromethoxycarbonylamino)pentanoylamino]propionic acid Formula: C12H17F3IN3O6 MolecularWeight: 483.17956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)OC(F)(F)F

Isomeric SMILES

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)OC(F)(F)F

InChI

InChI=1S/C12H17F3IN3O6/c1-2-3-6(19-11(24)25-12(13,14)15)9(21)18-7(10(22)23)5-17-8(20)4-16/h6-7H,2-5H2,1H3,(H,17,20)(H,18,21)(H,19,24)(H,22,23)