(Q110178249)

English

(4R,5R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-(13-methyltetradecanoylamino)ethyl]phenoxy]propyl]-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

group of stereoisomers with the chemical formula C₃₆H₅₁Br₄N₃O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

969.040963992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₁Br₄N₃O₈

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canonical SMILES

COC1=C(Br)CC2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(C(O)CNC(=O)CCCCCCCCCCCC(C)C)cc1Br)C2O

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isomeric SMILES

COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(C(O)CNC(=O)CCCCCCCCCCCC(C)C)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/C36H51Br4N3O8/c1-23(2)14-11-9-7-5-4-6-8-10-12-15-30(45)42-21-29(44)24-18-25(37)33(26(38)19-24)49-17-13-16-41-35(47)31-34(46)36(51-43-31)20-27(39)32(48-3)28(40)22-50-36/h18-19,22-23,29,34,44,46H,4-17,20-21H2,1-3H3,(H,41,47)(H,42,45)/t29?,34-,36-/m1/s1

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InChIKey

IDHVIYPTDKAKBA-WZRZUINYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDHVIYPTDKAKBA-WZRZUINYSA-N

1 reference

(Q110178249)

(4R,5R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-(13-methyltetradecanoylamino)ethyl]phenoxy]propyl]-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

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Identifiers

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