(Q104197494)

English

5,6,15-Trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone

group of stereoisomers with the chemical formula C₁₈H₁₈N₂O₇S₃

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instance of

group of stereoisomers

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subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

470.027613916 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₈N₂O₇S₃

0 references

canonical SMILES

O=C1CC2SSC34C(=O)N5C6C(O)C(O)C7SC5(C(=O)N4C(C2O)C1C3)CC6C7=O

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Identifiers

InChI

InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2

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InChIKey

SPLIJUQASWTCRI-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPLIJUQASWTCRI-UHFFFAOYSA-N

(Q104197494)

5,6,15-Trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone

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Identifiers

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