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(Q110175944)
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English
(2S)-3-(6-bromo-1H-indol-3-yl)-2-[(2-methoxy-3-phenylprop-2-enoyl)amino]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
tryptamine alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
442.052819188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₉BrN₂O₄
0 references
canonical SMILES
COC(=Cc1ccccc1)C(=O)NC(Cc1c[nH]c2cc(Br)ccc12)C(=O)O
0 references
isomeric SMILES
COC(=Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O
0 references
found in taxon
Iotrochota
1 reference
stated in
Iotrochamides A and B, antitrypanosomal compounds from the Australian marine sponge Iotrochota sp.
Identifiers
InChI
InChI=1S/C21H19BrN2O4/c1-28-19(9-13-5-3-2-4-6-13)20(25)24-18(21(26)27)10-14-12-23-17-11-15(22)7-8-16(14)17/h2-9,11-12,18,23H,10H2,1H3,(H,24,25)(H,26,27)/t18-/m0/s1
0 references
InChIKey
VLXSUZGXOKQPHM-SFHVURJKSA-N
0 references
PubChem CID
162987729
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VLXSUZGXOKQPHM-SFHVURJKSA-N
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