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(Q76416837)
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English
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
saxagliptin
1 reference
based on heuristic
inferred from SMILES
mass
315.19467704
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₅N₃O₂
0 references
canonical SMILES
N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N
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Identifiers
InChI
InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17?,18?/m1/s1
0 references
InChIKey
QGJUIPDUBHWZPV-KFHUQKARSA-N
0 references
PubChem CID
11235729
0 references
UniChem compound ID
641736
1 reference
stated in
UniChem
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