(Q82909667)

English

4-Hydroxy-1-{5-O-[(hydroxy{2-[(1-hydroxydecylidene)amino]-3-phenylpropoxy}methylidene)sulfamoyl]-2,3-O-(1-methylethylidene)pentofuranosyl}pyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₃₂H₄₆N₄O₁₁S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

694.288379292 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆N₄O₁₁S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCC(O)=NC(COC(O)=NS(=O)(=O)OCC1OC(n2ccc(O)nc2=O)C2OC(C)(C)OC12)Cc1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](COC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)C2OC(C)(C)OC21)Cc1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C32H46N4O11S/c1-4-5-6-7-8-9-13-16-25(37)33-23(19-22-14-11-10-12-15-22)20-43-31(40)35-48(41,42)44-21-24-27-28(47-32(2,3)46-27)29(45-24)36-18-17-26(38)34-30(36)39/h10-12,14-15,17-18,23-24,27-29H,4-9,13,16,19-21H2,1-3H3,(H,33,37)(H,35,40)(H,34,38,39)/t23-,24-,27?,28?,29-/m1/s1

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InChIKey

ATMPZEPXNCVMKT-XNVIYQHFSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101362492

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(Q82909667)

4-Hydroxy-1-{5-O-[(hydroxy{2-[(1-hydroxydecylidene)amino]-3-phenylpropoxy}methylidene)sulfamoyl]-2,3-O-(1-methylethylidene)pentofuranosyl}pyrimidin-2(1H)-one

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Identifiers

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