3-[(butanoylamino)methyl]-5-[[9-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[(butanoylamino)methyl]-5-[[9-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-1,9-dioxononyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[[9-[3-(butyramidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-9-keto-nonanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C33H38I6N4O8 MolecularWeight: 1380.10364

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H38I6N4O8/c1-3-10-18(44)40-14-16-24(34)22(32(48)49)28(38)30(26(16)36)42-20(46)12-8-6-5-7-9-13-21(47)43-31-27(37)17(15-41-19(45)11-4-2)25(35)23(29(31)39)33(50)51/h3-15H2,1-2H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)(H,48,49)(H,50,51)