(Q103816884)

English

9-[hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

group of stereoisomers with the chemical formula C₄₁H₅₂N₈O₉

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

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inferred from

biogenic cyclopeptide

mass

800.3857252440001 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₁H₅₂N₈O₉

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canonical SMILES

CC(C)=CCc1cc(C(O)C2NC(=O)CNC(=O)C(C(C)C)NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1O

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Identifiers

InChI

InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)

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InChIKey

BNPYZZVTLFIGQT-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BNPYZZVTLFIGQT-UHFFFAOYSA-N

1 reference

(Q103816884)

9-[hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

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