(Q104167058)

English

5,15-Dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

group of stereoisomers with the chemical formula C₁₈H₂₀N₂O₆S₄

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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

488.02042036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₀N₂O₆S₄

0 references

canonical SMILES

O=C1CC(S)C(O)C2N3C(=O)C45SSC3(C(=O)N5C6C(O)C(S)CC(=O)C6C4)CC12

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Identifiers

InChI

InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2

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InChIKey

GCSPJPVOPHGWRM-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCSPJPVOPHGWRM-UHFFFAOYSA-N

(Q104167058)

5,15-Dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

Statements

Identifiers

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