(Q103816500)

English

4-benzyl-9-[3-[(5-benzyl-3,6-dioxopiperazin-2-yl)methyl]-1H-indol-7-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

group of stereoisomers with the chemical formula C₄₀H₃₆N₆O₄

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Statements

instance of

group of stereoisomers

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subclass of

chaetocin-like alkaloid

1 reference

inferred from

chaetocin-like alkaloid

biogenic 2,5-diketopiperazine

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inferred from

biogenic 2,5-diketopiperazine

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

664.279803632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₆N₆O₄

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canonical SMILES

O=C1NC(Cc2c[nH]c3c(C45CC6C(=O)NC(Cc7ccccc7)C(=O)N6C4Nc4ccccc45)cccc23)C(=O)NC1Cc1ccccc1

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found in taxon

Pestalotiopsis theae

1 reference

stated in

Pestalazines and pestalamides, bioactive metabolites from the plant pathogenic fungus Pestalotiopsis theae

Identifiers

InChI

InChI=1S/C40H36N6O4/c47-35-30(18-23-10-3-1-4-11-23)42-36(48)31(43-35)20-25-22-41-34-26(25)14-9-16-28(34)40-21-33-37(49)44-32(19-24-12-5-2-6-13-24)38(50)46(33)39(40)45-29-17-8-7-15-27(29)40/h1-17,22,30-33,39,41,45H,18-21H2,(H,42,48)(H,43,47)(H,44,49)

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InChIKey

AWMBNXCUMNOLQI-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AWMBNXCUMNOLQI-UHFFFAOYSA-N

1 reference

(Q103816500)

4-benzyl-9-[3-[(5-benzyl-3,6-dioxopiperazin-2-yl)methyl]-1H-indol-7-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Statements

Identifiers

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