3-[[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-3-oxidanylidene-propanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: 3-[[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]amino]-3-oxidanylidene-propanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxo-propanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-1,3-dioxopropyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: 3-[[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-keto-propanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C28H31I6N5O13 MolecularWeight: 1406.99826

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C(C(C(CO)O)O)O)O.CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

Isomeric SMILES

CNCC(C(C(C(CO)O)O)O)O.CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I

InChI

InChI=1S/C21H14I6N4O8.C7H17NO5/c1-28-18(34)6-10(22)8(20(36)37)14(26)16(12(6)24)30-4(32)3-5(33)31-17-13(25)7(19(35)29-2)11(23)9(15(17)27)21(38)39;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)(H,36,37)(H,38,39);4-13H,2-3H2,1H3