3-[(butanoylamino)methyl]-5-[[7-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[(butanoylamino)methyl]-5-[[7-[[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]anilino]-1,7-dioxoheptyl]amino]-2,4,6-triiodo-5-[(1-oxobutylamino)methyl]benzoic acid IUPAC Name: 3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(butyramidomethyl)-5-[[7-[3-(butyramidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-7-keto-heptanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C31H34I6N4O8 MolecularWeight: 1352.05048

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H34I6N4O8/c1-3-8-16(42)38-12-14-22(32)20(30(46)47)26(36)28(24(14)34)40-18(44)10-6-5-7-11-19(45)41-29-25(35)15(13-39-17(43)9-4-2)23(33)21(27(29)37)31(48)49/h3-13H2,1-2H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)(H,46,47)(H,48,49)