(Q104974038)

English

5,26-Bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone

group of stereoisomers with the chemical formula C₄₇H₇₆N₈O₉S

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

928.545597012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₇₆N₈O₉S

0 references

canonical SMILES

C=CC(C)(C)OC(C)C1NC(=O)C2CSC(=N2)C(C(C)C)NC(=O)C(C(C)OC(C)(C)C=C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC1=O

0 references

found in taxon

Lissoclinum patella

1 reference

stated in

Patellins 1-6 and Trunkamide A: Novel Cyclic Hexa-, Hepta- and Octa-peptides From Colonial Ascidians, Lissoclinum sp.

Identifiers

InChI

InChI=1S/C47H76N8O9S/c1-15-46(11,12)63-28(9)36-41(59)48-30(23-25(3)4)44(61)54-21-17-19-32(54)39(57)51-35(27(7)8)45(62)55-22-18-20-33(55)40(58)53-37(29(10)64-47(13,14)16-2)42(60)50-34(26(5)6)43-49-31(24-65-43)38(56)52-36/h15-16,25-37H,1-2,17-24H2,3-14H3,(H,48,59)(H,50,60)(H,51,57)(H,52,56)(H,53,58)

0 references

InChIKey

DAWDGQIAMZWWEL-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DAWDGQIAMZWWEL-UHFFFAOYSA-N

(Q104974038)

5,26-Bis[1-(2-methylbut-3-en-2-yloxy)ethyl]-23-(2-methylpropyl)-2,14-di(propan-2-yl)-31-thia-3,6,12,15,21,24,27,32-octazatetracyclo[27.2.1.08,12.017,21]dotriacont-1(32)-ene-4,7,13,16,22,25,28-heptone

Statements

Identifiers

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