ethyl (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-oxidanylidene-propyl]-3-iodanyl-2-oxidanyl-phenyl]-5-iodanyl-4-oxidanyl-phenyl]propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-oxidanylidene-propyl]-3-iodanyl-2-oxidanyl-phenyl]-5-iodanyl-4-oxidanyl-phenyl]propanoate Openeye Name: ethyl (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-oxo-propyl]-2-hydroxy-3-iodo-phenyl]-4-hydroxy-5-iodo-phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]-2-hydroxy-3-iodophenyl]-4-hydroxy-5-iodophenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]-2-hydroxy-3-iodophenyl]-4-hydroxy-5-iodophenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[3-[5-[(2S)-2-acetamido-3-ethoxy-3-keto-propyl]-2-hydroxy-3-iodo-phenyl]-4-hydroxy-5-iodo-phenyl]propionic acid ethyl ester Formula: C26H30I2N2O8 MolecularWeight: 752.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)C2=CC(=CC(=C2O)I)CC(C(=O)OCC)NC(=O)C)O)I)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC(=C(C(=C1)C2=CC(=CC(=C2O)I)C[C@@H](C(=O)OCC)NC(=O)C)O)I)NC(=O)C

InChI

InChI=1S/C26H30I2N2O8/c1-5-37-25(35)21(29-13(3)31)11-15-7-17(23(33)19(27)9-15)18-8-16(10-20(28)24(18)34)12-22(30-14(4)32)26(36)38-6-2/h7-10,21-22,33-34H,5-6,11-12H2,1-4H3,(H,29,31)(H,30,32)/t21-,22-/m0/s1