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

Systemtic Name: 3-(butylcarbamoyl)-5-[[10-[[3-(butylcarbamoyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(butylcarbamoyl)-5-[[10-[3-(butylcarbamoyl)-5-carboxy-2,4,6-triiodo-anilino]-10-oxo-decanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[butylamino(oxo)methyl]-5-[[10-[3-[butylamino(oxo)methyl]-5-carboxy-2,4,6-triiodoanilino]-1,10-dioxodecyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(butylcarbamoyl)-5-[[10-[3-(butylcarbamoyl)-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butylcarbamoyl)-5-[[10-[3-(butylcarbamoyl)-5-carboxy-2,4,6-triiodo-anilino]-10-keto-decanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C34H40I6N4O8 MolecularWeight: 1394.13022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCCC)I)I)C(=O)O)I

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCCC)I)I)C(=O)O)I

InChI

InChI=1S/C34H40I6N4O8/c1-3-5-15-41-31(47)19-23(35)21(33(49)50)27(39)29(25(19)37)43-17(45)13-11-9-7-8-10-12-14-18(46)44-30-26(38)20(32(48)42-16-6-4-2)24(36)22(28(30)40)34(51)52/h3-16H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H,49,50)(H,51,52)