tert-butyl 3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate (Q105350450)

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chemical compound

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Language	Label	Description	Also known as
English	tert-butyl 3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate	chemical compound

Statements

instance of

type of chemical entity

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subclass of

biogenic 2,5-diketopiperazine

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mass

383.18450628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₅N₃O₄

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canonical SMILES

CC(C)(C)OC(=O)n1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21

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isomeric SMILES

CC(C)(C)OC(=O)n1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21

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found in taxon

Aspergillus fumigatus

1 reference

stated in

Antibacterial activity of diketopiperazines isolated from a marine fungus using t-butoxycarbonyl group as a simple tool for purification.

Identifiers

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)28-20(27)24-12-13(14-7-4-5-8-16(14)24)11-15-19(26)23-10-6-9-17(23)18(25)22-15/h4-5,7-8,12,15,17H,6,9-11H2,1-3H3,(H,22,25)/t15-,17-/m0/s1

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InChIKey

YMBWWWKPLURITN-RDJZCZTQSA-N

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PubChem CID

122184710

1 reference

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

147975211

1 reference

stated in

UniChem

 

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