3-[(butanoylamino)methyl]-5-[[8-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[(butanoylamino)methyl]-5-[[8-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-8-oxo-octanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-1,8-dioxooctyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[[8-[3-(butyramidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-8-keto-octanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C32H36I6N4O8 MolecularWeight: 1366.07706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H36I6N4O8/c1-3-9-17(43)39-13-15-23(33)21(31(47)48)27(37)29(25(15)35)41-19(45)11-7-5-6-8-12-20(46)42-30-26(36)16(14-40-18(44)10-4-2)24(34)22(28(30)38)32(49)50/h3-14H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H,49,50)