3-iodanyl-2-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyphenyl]propanoic acid

Systemtic Name: 3-iodanyl-2-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyphenyl]propanoic acid Openeye Name: 2-[2-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxyphenyl]-3-iodo-propanoic acid CAS Name: 3-iodo-2-[2-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]phenyl]propanoic acid IUPAC Name: 3-iodo-2-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyphenyl]propanoic acid Traditional Name: 2-[2-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxyphenyl]-3-iodo-propionic acid Formula: C22H24INO6 MolecularWeight: 525.33353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC=C1C(CI)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=CC=C1C(CI)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24INO6/c1-14(2)19(24-22(28)29-13-15-8-4-3-5-9-15)21(27)30-18-11-7-6-10-16(18)17(12-23)20(25)26/h3-11,14,17,19H,12-13H2,1-2H3,(H,24,28)(H,25,26)/t17?,19-/m0/s1