(Q105339688)

English

(2'R,3'R,4S)-7'-bromo-2,2''-diimino-2'-(1H-indol-3-yl)-1,1'',3-trimethyl-4',9'-dihydro-2'H-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-5,5''-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

indole alkaloid

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mass

572.12838414 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₅BrN₈O₂

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canonical SMILES

[H]N=C1N(C(=O)C2(C=3NC=4C=C(Br)C=CC4C3CC5(NC(=N)N(C5=O)C)C2C6=CNC=7C=CC=CC76)N1C)C

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isomeric SMILES

[H]/N=C1/N(C)C(=O)[C@]2(c3[nH]c4cc(Br)ccc4c3C[C@@]3(NC(=N)N(C)C3=O)[C@H]2c2c[nH]c3ccccc23)N1C

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found in taxon

Smenospongia cerebriformis

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stated in

Xestosaprols from the Indonesian marine sponge Xestospongia sp.

Spongia cerebriformis

1 reference

stated in

Xestosaprols from the Indonesian marine sponge Xestospongia sp.

Identifiers

InChI

InChI=1S/C27H25BrN8O2/c1-34-22(37)26(33-24(34)29)11-16-15-9-8-13(28)10-19(15)32-21(16)27(23(38)35(2)25(30)36(27)3)20(26)17-12-31-18-7-5-4-6-14(17)18/h4-10,12,20,30-32H,11H2,1-3H3,(H2,29,33)/b30-25-/t20-,26-,27+/m1/s1

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InChIKey

XQGLUJQIRITWAM-VHKPNTSHSA-N

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(Q105339688)

(2'R,3'R,4S)-7'-bromo-2,2''-diimino-2'-(1H-indol-3-yl)-1,1'',3-trimethyl-4',9'-dihydro-2'H-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-5,5''-dione

Statements

Identifiers

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