(Q104168632)

English

2,3,4,4a,7,7a,9,10,11,11a,14,14a-Dodecahydro-4,11-dihydroxy-8H,13H-6a,13a-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone

group of stereoisomers with the chemical formula C₁₈H₂₀N₂O₆S₂

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Statements

instance of

group of stereoisomers

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subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

424.07627836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₀N₂O₆S₂

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canonical SMILES

O=C1CCC(O)C2N3C(=O)C45SSC3(C(=O)N5C6C(O)CCC(=O)C6C4)CC12

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Identifiers

InChI

InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2

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InChIKey

ICKHXBRXCAORGF-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ICKHXBRXCAORGF-UHFFFAOYSA-N

1 reference

(Q104168632)

2,3,4,4a,7,7a,9,10,11,11a,14,14a-Dodecahydro-4,11-dihydroxy-8H,13H-6a,13a-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone

Statements

Identifiers

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