(Q110178256)

English

(4S,5S)-8,10-dibromo-N-(3-{2,6-dibromo-4-[2-({[(1Z)-3-chloro-2,5-dioxocyclopentylidene]methyl}amino)ethyl]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 C₂₇H₂₆Br₄ClN₃O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

870.814190872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₆Br₄ClN₃O₈

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canonical SMILES

O=C(NCCCOC1=C(Br)C=C(C=C1Br)CCNC=C2C(=O)CC(Cl)C2=O)C3=NOC4(OC=C(Br)C(OC)=C(Br)C4)C3O

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isomeric SMILES

COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN/C=C3/C(=O)CC(Cl)C3=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/C27H26Br4ClN3O8/c1-40-23-17(30)10-27(42-12-18(23)31)25(38)21(35-43-27)26(39)34-4-2-6-41-24-15(28)7-13(8-16(24)29)3-5-33-11-14-20(36)9-19(32)22(14)37/h7-8,11-12,19,25,33,38H,2-6,9-10H2,1H3,(H,34,39)/b14-11-/t19?,25-,27-/m0/s1

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InChIKey

YNMCLVMISHJRBL-YJGHPRERSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110178256)

(4S,5S)-8,10-dibromo-N-(3-{2,6-dibromo-4-[2-({[(1Z)-3-chloro-2,5-dioxocyclopentylidene]methyl}amino)ethyl]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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