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(Q72447731)
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English
N-Boc-L-Adamantylglycine
group of stereoisomers with the chemical formula C₁₇H₂₇NO₄
(alphaS)-alpha-[[(tert-Butoxy)carbonyl]amino]tricyclo[3.3.1.1(3,7)]decane-1-acetic acid
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
309.194008344
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₇NO₄
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canonical SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(CC(C3)C1)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)C2
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Identifiers
InChI
InChI=1S/C17H27NO4/c1-16(2,3)22-15(21)18-13(14(19)20)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-13H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12?,13-,17?/m1/s1
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InChIKey
LJUATQZYDYSZPV-CQCMJFKXSA-N
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CAS Registry Number
361441-97-6
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PubChem CID
11738405
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UniChem compound ID
23387149
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50471504
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DSSTOX compound identifier
DTXCID60422320
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