3-[[7-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid

Systemtic Name: 3-[[7-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid Openeye Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid CAS Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]anilino]-1,7-dioxoheptyl]amino]-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]benzoic acid IUPAC Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-7-oxoheptanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Traditional Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-(propionamidomethyl)anilino]-7-keto-heptanoyl]amino]-2,4,6-triiodo-5-(propionamidomethyl)benzoic acid Formula: C29H30I6N4O8 MolecularWeight: 1323.99732

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30I6N4O8/c1-3-14(40)36-10-12-20(30)18(28(44)45)24(34)26(22(12)32)38-16(42)8-6-5-7-9-17(43)39-27-23(33)13(11-37-15(41)4-2)21(31)19(25(27)35)29(46)47/h3-11H2,1-2H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)