3-[[6-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid

Systemtic Name: 3-[[6-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid Openeye Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid CAS Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]anilino]-1,6-dioxohexyl]amino]-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]benzoic acid IUPAC Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Traditional Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-(propionamidomethyl)anilino]-6-keto-hexanoyl]amino]-2,4,6-triiodo-5-(propionamidomethyl)benzoic acid Formula: C28H28I6N4O8 MolecularWeight: 1309.97074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)CC)I)C(=O)O)I)I

Isomeric SMILES

CCC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)CC)I)C(=O)O)I)I

InChI

InChI=1S/C28H28I6N4O8/c1-3-13(39)35-9-11-19(29)17(27(43)44)23(33)25(21(11)31)37-15(41)7-5-6-8-16(42)38-26-22(32)12(10-36-14(40)4-2)20(30)18(24(26)34)28(45)46/h3-10H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)(H,43,44)(H,45,46)