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

Systemtic Name: 3-[(butanoylamino)methyl]-5-[[6-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-1,6-dioxohexyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[[6-[3-(butyramidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-keto-hexanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C30H32I6N4O8 MolecularWeight: 1338.0239

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H32I6N4O8/c1-3-7-15(41)37-11-13-21(31)19(29(45)46)25(35)27(23(13)33)39-17(43)9-5-6-10-18(44)40-28-24(34)14(12-38-16(42)8-4-2)22(32)20(26(28)36)30(47)48/h3-12H2,1-2H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)(H,45,46)(H,47,48)