(Q105150051)

English

tert-butyl (3S,8aS)-3-[[2-(3-methylbut-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic 2,5-diketopiperazine

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mass

551.299536032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₁N₃O₆

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canonical SMILES

O=C(OC(C)(C)C)N1C=2C=CC=CC2C(=C1CC=C(C)C)CC3C(=O)N4CCCC4C(=O)N3C(=O)OC(C)(C)C

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isomeric SMILES

CC(C)=CCc1c(C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C(=O)OC(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C

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found in taxon

Aspergillus fumigatus

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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/C31H41N3O6/c1-19(2)15-16-23-21(20-12-9-10-13-22(20)33(23)28(37)39-30(3,4)5)18-25-26(35)32-17-11-14-24(32)27(36)34(25)29(38)40-31(6,7)8/h9-10,12-13,15,24-25H,11,14,16-18H2,1-8H3/t24-,25-/m0/s1

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InChIKey

LCXZJWZQHMZTRX-DQEYMECFSA-N

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1 reference

26 December 2021

1 reference

(Q105150051)

tert-butyl (3S,8aS)-3-[[2-(3-methylbut-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-2-carboxylate

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Identifiers

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