(Q105032450)

English

[6-[2-[4-(11-Acetyloxy-9-benzoyl-4-oxo-1,5,9-triazacyclotridec-2-yl)phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

group of stereoisomers with the chemical formula C₄₄H₅₅N₃O₁₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

865.3633180600003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₄H₅₅N₃O₁₅

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canonical SMILES

CC(=O)OC1CCNC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)CC(=O)NCCCN(C(=O)c2ccccc2)C1

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Identifiers

InChI

InChI=1S/C44H55N3O15/c1-25-35(50)38(53)40(62-43-39(54)37(52)36(51)33(61-43)24-57-42(56)29-12-7-4-8-13-29)44(58-25)60-30-16-14-27(15-17-30)32-22-34(49)46-19-9-21-47(41(55)28-10-5-3-6-11-28)23-31(18-20-45-32)59-26(2)48/h3-8,10-17,25,31-33,35-40,43-45,50-54H,9,18-24H2,1-2H3,(H,46,49)

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InChIKey

HQVBKYXRRGKMLH-UHFFFAOYSA-N

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PubChem CID

74941555

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HQVBKYXRRGKMLH-UHFFFAOYSA-N

(Q105032450)

[6-[2-[4-(11-Acetyloxy-9-benzoyl-4-oxo-1,5,9-triazacyclotridec-2-yl)phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

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