(Q110174514)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

728.832033856 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₃Br₄N₃O₆

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canonical SMILES

O=C(NCCCOC1=C(Br)C=C(C=C1Br)CCN)C2=NOC3(OC=C(Br)C(OC)=C(Br)C3)C2O

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isomeric SMILES

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

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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/C21H23Br4N3O6/c1-31-17-14(24)9-21(33-10-15(17)25)19(29)16(28-34-21)20(30)27-5-2-6-32-18-12(22)7-11(3-4-26)8-13(18)23/h7-8,10,19,29H,2-6,9,26H2,1H3,(H,27,30)/t19-,21-/m1/s1

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InChIKey

XVHHFAJHWSIGJS-TZIWHRDSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XVHHFAJHWSIGJS-TZIWHRDSSA-N

1 reference

(Q110174514)

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

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