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

Systemtic Name: 3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[3-[2-[2-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[3-[2-[2-[2-[3-[3-(butyramidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-3-keto-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C36H44I6N4O12 MolecularWeight: 1486.18098

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H44I6N4O12/c1-3-5-21(47)43-17-19-27(37)25(35(51)52)31(41)33(29(19)39)45-23(49)7-9-55-11-13-57-15-16-58-14-12-56-10-8-24(50)46-34-30(40)20(18-44-22(48)6-4-2)28(38)26(32(34)42)36(53)54/h3-18H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)(H,53,54)