5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(5-iodanyl-2-methoxy-phenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]phenoxy]-4-[(5-iodanyl-2-methoxy-phenyl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxo-propyl)phenoxy]-4-[(5-iodo-2-methoxy-benzoyl)amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[[(5-iodo-2-methoxyphenyl)-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(3-hydroxy-2,3-dioxopropyl)phenoxy]-4-[(5-iodo-2-methoxybenzoyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(3-hydroxy-2,3-diketo-propyl)phenoxy]-4-[(5-iodo-2-methoxy-benzoyl)amino]valeric acid Formula: C23H24IN3O8 MolecularWeight: 597.35643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)I)C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)I)C(=O)NC(CCC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C23H24IN3O8/c1-34-18-6-4-14(24)10-16(18)22(31)27-15(5-7-20(29)30)11-35-19-9-13(21(25)26)3-2-12(19)8-17(28)23(32)33/h2-4,6,9-10,15H,5,7-8,11H2,1H3,(H3,25,26)(H,27,31)(H,29,30)(H,32,33)