3-[[2-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoylmethoxy]acetyl]amino]-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Molecular Formula:
C32H44I6N4O17
InChI: InChI=1/C18H10I6N2O7.2C7H17NO5/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1/f/h25-26,29,31H;;
InChIKey: InChIKey=HHFDMOXEMINUNX-LRDAWVDCDB
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
Names:
3-[[2-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoylmethoxy]acetyl]amino]-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Registries:
PubChem CID 159736
PubChem ID 10253733
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