(Q105127829)

English

[6-[2-[4-[11-Acetyloxy-9-(2-methylbutanoyl)-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 C₄₂H₅₉N₃O₁₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

845.3946181880003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₅₉N₃O₁₅

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canonical SMILES

CCC(C)C(=O)N1CCCNC(=O)CC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1

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Identifiers

InChI

InChI=1S/C42H59N3O15/c1-5-23(2)39(53)45-19-9-17-44-32(47)20-30(43-18-16-29(21-45)57-25(4)46)26-12-14-28(15-13-26)58-42-38(36(51)33(48)24(3)56-42)60-41-37(52)35(50)34(49)31(59-41)22-55-40(54)27-10-7-6-8-11-27/h6-8,10-15,23-24,29-31,33-38,41-43,48-52H,5,9,16-22H2,1-4H3,(H,44,47)

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InChIKey

JHASEUWJNLLPAL-UHFFFAOYSA-N

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PubChem CID

74941512

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JHASEUWJNLLPAL-UHFFFAOYSA-N

(Q105127829)

[6-[2-[4-[11-Acetyloxy-9-(2-methylbutanoyl)-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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