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

Systemtic Name: 3-[(butanoylamino)methyl]-5-[[10-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-10-oxo-decanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-1,10-dioxodecyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[[10-[3-(butyramidomethyl)-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:

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

Isomeric SMILES

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

InChI

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