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(Q105345891)
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English
(2S,3S)-3-[[(2R,3R)-1-[bis(4-aminobutyl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
homospermidine
0 references
mass
386.252920188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄N₄O₅
0 references
canonical SMILES
CCC(C)C(NC(=O)C1OC1C(=O)O)C(=O)N(CCCCN)CCCCN
0 references
isomeric SMILES
CC[C@@H](C)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)N(CCCCN)CCCCN
0 references
found in taxon
Anabaena circinalis
1 reference
stated in
Circinamide, a novel papain inhibitor from the cyanobacterium Anabaena circinalis (NIES-41)
Dolichospermum circinale
1 reference
stated in
Circinamide, a novel papain inhibitor from the cyanobacterium Anabaena circinalis (NIES-41)
Identifiers
InChI
InChI=1S/C18H34N4O5/c1-3-12(2)13(21-16(23)14-15(27-14)18(25)26)17(24)22(10-6-4-8-19)11-7-5-9-20/h12-15H,3-11,19-20H2,1-2H3,(H,21,23)(H,25,26)/t12-,13-,14+,15+/m1/s1
0 references
InChIKey
YBKILQBWFWGLMQ-KBXIAJHMSA-N
0 references
PubChem CID
163106680
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YBKILQBWFWGLMQ-KBXIAJHMSA-N
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