(Q105286205)

English

(19-Butanoyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl) butanoate

group of stereoisomers with the chemical formula C₂₆H₂₈N₂O₈S₂

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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

560.1287078559999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈N₂O₈S₂

0 references

canonical SMILES

O=C(OC1C=C2CC34SSC5(C(=O)N3C2C6OC16)N(C4=O)C7C(=CC(OC(=O)CCC)C8OC87)C5)CCC

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Identifiers

InChI

InChI=1S/C26H28N2O8S2/c1-3-5-15(29)33-13-7-11-9-25-23(31)28-18-12(8-14(20-22(18)36-20)34-16(30)6-4-2)10-26(28,38-37-25)24(32)27(25)17(11)21-19(13)35-21/h7-8,13-14,17-22H,3-6,9-10H2,1-2H3

0 references

InChIKey

VGXSFXYHPSOFJY-UHFFFAOYSA-N

0 references

PubChem CID

85056760

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VGXSFXYHPSOFJY-UHFFFAOYSA-N

(Q105286205)

(19-Butanoyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl) butanoate

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