(Q110174522)

English

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

chemical compound

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subclass of

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

1 reference

based on heuristic

inferred from InChIKey

mass

834.83751316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₅Br₄N₃O₈

0 references

canonical SMILES

O=C1C=CC(=O)C1=CNCCC2=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(CCNC=C3C(=O)C=CC3=O)cc1Br)[C@H]2O

0 references

found in taxon

Suberea

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C27H25Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h3-4,9-10,12-13,25,32,37H,2,5-8,11H2,1H3,(H,33,38)/t25-,27-/m1/s1

0 references

InChIKey

JGFXDUSJSHIVCW-XNMGPUDCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q110174522)

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

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