3-[[10-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid

Systemtic Name: 3-[[10-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid Openeye Name: 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-10-oxo-decanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid CAS Name: 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]anilino]-1,10-dioxodecyl]amino]-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]benzoic acid IUPAC Name: 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Traditional Name: 3-[[10-[3-carboxy-2,4,6-triiodo-5-(propionamidomethyl)anilino]-10-keto-decanoyl]amino]-2,4,6-triiodo-5-(propionamidomethyl)benzoic acid Formula: C32H36I6N4O8 MolecularWeight: 1366.07706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H36I6N4O8/c1-3-17(43)39-13-15-23(33)21(31(47)48)27(37)29(25(15)35)41-19(45)11-9-7-5-6-8-10-12-20(46)42-30-26(36)16(14-40-18(44)4-2)24(34)22(28(30)38)32(49)50/h3-14H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H,49,50)