Chemical Component Summary |
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Name | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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Identifiers | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[(2-nitro-4-pyrimidin-2-yl-phenyl)amino]hexylamino]cyclohexane-1,2,3,4-tetrol |
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Formula | C23 H33 N5 O7 |
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Molecular Weight | 491.537 |
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Type | NON-POLYMER |
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Isomeric SMILES | c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O |
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InChI | InChI=1S/C23H33N5O7/c29-14-23(33)13-17(19(30)20(31)21(23)32)25-9-4-2-1-3-8-24-16-7-6-15(12-18(16)28(34)35)22-26-10-5-11-27-22/h5-7,10-12,17,19-21,24-25,29-33H,1-4,8-9,13-14H2/t17-,19-,20+,21-,23-/m0/s1 |
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InChIKey | MZOLIRUJMQEVFZ-BYGOBXPBSA-N |
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