(Q110178248)

English

(4R,5R)-8,10-dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxocyclopent-3-en-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

group of stereoisomers with the chemical formula C₂₇H₂₅Br₄N₃O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

850.83242778 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₅Br₄N₃O₉

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canonical SMILES

O=C1C=CC(=O)C1=CNCC(O)C2=CC(Br)=C(OCCCNC(=O)C3=NOC4(OC=C(Br)C(OC)=C(Br)C4)C3O)C(Br)=C2

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isomeric SMILES

COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(C(O)CNC=C3C(=O)C=CC3=O)cc1Br)[C@H]2O

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found in taxon

Suberea

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stated in

Cytotoxic psammaplysin analogues from a Suberea sp. marine sponge and the role of the spirooxepinisoxazoline in their activity.

Identifiers

InChI

InChI=1S/C27H25Br4N3O9/c1-40-23-17(30)9-27(42-12-18(23)31)25(38)22(34-43-27)26(39)33-5-2-6-41-24-15(28)7-13(8-16(24)29)21(37)11-32-10-14-19(35)3-4-20(14)36/h3-4,7-8,10,12,21,25,32,37-38H,2,5-6,9,11H2,1H3,(H,33,39)/t21?,25-,27-/m1/s1

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InChIKey

ALQMQVUOKZVSGT-MMCYTVALSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110178248)

(4R,5R)-8,10-dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxocyclopent-3-en-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

Statements

Identifiers

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