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(Q105141435)
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English
(2S)-2-{[(4-bromopyrrol-2-ylidene)(hydroxy)methyl]amino}-3-[(4S)-3,4-dimethyl-5H-imidazol-4-yl]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
356.048402504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-2-{[(4-bromopyrrol-2-ylidene)(hydroxy)methyl]amino}-3-[(4S)-3,4-dimethyl-5H-imidazol-4-yl]propanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₇BrN₄O₃
0 references
canonical SMILES
O=C(O)C(NC(O)=C1N=CC(Br)=C1)CC2(N(C=NC2)C)C
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isomeric SMILES
CN1C=NC[C@]1(C)C[C@H](NC(O)=C1C=C(Br)C=N1)C(=O)O
0 references
found in taxon
Agelas clathrodes
2 references
stated in
Clathramides, unique bromopyrrole alkaloids from the Caribbean sponge Agelas clathrodes
stated in
Anti-histaminic activity of bromopyrrole alkaloids isolated from Caribbean Agelas sponges
Identifiers
InChI
InChI=1S/C13H17BrN4O3/c1-13(6-15-7-18(13)2)4-10(12(20)21)17-11(19)9-3-8(14)5-16-9/h3,5,7,10,17,19H,4,6H2,1-2H3,(H,20,21)/t10-,13-/m0/s1
0 references
InChIKey
KICBJUDAHKBPEW-GWCFXTLKSA-N
0 references
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