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(Q105368516)
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English
2-[3-[(2R,5E)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
biogenic 2,5-diketopiperazine
0 references
chaetocin-like alkaloid
0 references
mass
418.075285948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[3-[(2R)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
1 reference
based on heuristic
inferred from InChI
barettin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₉BrN₆O₂
0 references
canonical SMILES
N=C(N)NCCCC1NC(=O)C(=Cc2c[nH]c3cc(Br)ccc23)NC1=O
0 references
isomeric SMILES
N=C(N)NCCC[C@H]1NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)NC1=O
0 references
found in taxon
Geodia barretti
2 references
stated in
Brominated cyclodipeptides from the marine sponge Geodia barretti as selective 5-HT ligands
stated in
Antifouling activity of brominated cyclopeptides from the marine sponge Geodia barretti
Identifiers
InChI
InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6+/t12-/m1/s1
0 references
InChIKey
YYFNNPXWRXQUPR-CHJAJTDHSA-N
0 references
PubChem CID
163195619
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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