2,4,6-tris(iodanyl)-5-[methyl-[3-[methyl-[2,4,6-tris(iodanyl)-3,5-bis[1,3,4-tris(oxidanyl)butan-2-ylcarbamoyl]phenyl]amino]-3-oxidanylidene-propanoyl]amino]-N1,N3-bis[1,3,4-tris(oxidanyl)butan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: 2,4,6-tris(iodanyl)-5-[methyl-[3-[methyl-[2,4,6-tris(iodanyl)-3,5-bis[1,3,4-tris(oxidanyl)butan-2-ylcarbamoyl]phenyl]amino]-3-oxidanylidene-propanoyl]amino]-N1,N3-bis[1,3,4-tris(oxidanyl)butan-2-yl]benzene-1,3-dicarboxamide Openeye Name: 5-[[3-[3,5-bis[[2,3-dihydroxy-1-(hydroxymethyl)propyl]carbamoyl]-2,4,6-triiodo-N-methyl-anilino]-3-oxo-propanoyl]-methyl-amino]-N1,N3-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[1,3-dioxo-3-[2,4,6-triiodo-N-methyl-3,5-bis[oxo-(1,3,4-trihydroxybutan-2-ylamino)methyl]anilino]propyl]-methylamino]-2,4,6-triiodo-N1,N3-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide Traditional Name: 5-[[3-[3,5-bis[(2,3-dihydroxy-1-methylol-propyl)carbamoyl]-2,4,6-triiodo-N-methyl-anilino]-3-keto-propanoyl]-methyl-amino]-N,N'-bis(2,3-dihydroxy-1-methylol-propyl)-2,4,6-triiodo-isophthalamide Formula: C37H48I6N6O18 MolecularWeight: 1626.23324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I

Isomeric SMILES

CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I

InChI

InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)