(2S)-2-(2-iodanylpropanoyloxy)-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-(2-iodanylpropanoyloxy)-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-6-(benzyloxycarbonylamino)-2-(2-iodopropanoyloxy)hexanoic acid CAS Name: (2S)-2-(2-iodo-1-oxopropoxy)-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-(2-iodopropanoyloxy)-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-(2-iodopropanoyloxy)hexanoic acid Formula: C17H22INO6 MolecularWeight: 463.26415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O)I

Isomeric SMILES

CC(C(=O)O[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O)I

InChI

InChI=1S/C17H22INO6/c1-12(18)16(22)25-14(15(20)21)9-5-6-10-19-17(23)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,19,23)(H,20,21)/t12?,14-/m0/s1