(Q104200037)

English

5,15-Dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone

group of stereoisomers with the chemical formula C₁₈H₁₈N₂O₆S₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

454.032699296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₈N₂O₆S₃

0 references

canonical SMILES

O=C1CC2SSC34C(=O)N5C6C(O)C7SC5(C(=O)N4C(C2O)C1C3)CC6C(=O)C7

0 references

Identifiers

InChI

InChI=1S/C18H18N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2

0 references

InChIKey

VZUJNQMBOQHGKN-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZUJNQMBOQHGKN-UHFFFAOYSA-N

(Q104200037)

5,15-Dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone

Statements

Identifiers

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