2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxy-propanoic acid

Systemtic Name: 2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxy-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]oxymethyl]-3-iodo-propanoic acid CAS Name: 2-(iodomethyl)-3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentoxy]propanoic acid IUPAC Name: 2-(iodomethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]oxypropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]oxymethyl]-3-iodo-propionic acid Formula: C18H24INO6 MolecularWeight: 477.29073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(CI)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)OCC(CI)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H24INO6/c1-3-12(2)15(17(23)25-11-14(9-19)16(21)22)20-18(24)26-10-13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3,(H,20,24)(H,21,22)