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(Q72503165)
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English
O-(tert-Butyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-allothreonine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
397.18892296399997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Fmoc-O-tert-butyl-D-threonine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Fmoc-O-tert-butyl-allo-L-threonine
1 reference
based on heuristic
inferred from InChI
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₂₇NO₅
0 references
canonical SMILES
CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
0 references
Identifiers
InChI
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20-/m1/s1
0 references
InChIKey
LZOLWEQBVPVDPR-JLTOFOAXSA-N
0 references
CAS Registry Number
170643-02-4
0 references
PubChem CID
10949330
1 reference
matched by identifier from
InChIKey
InChIKey
LZOLWEQBVPVDPR-JLTOFOAXSA-N
UniChem compound ID
22820013
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70449427
1 reference
matched by identifier from
InChIKey
InChIKey
LZOLWEQBVPVDPR-JLTOFOAXSA-N
DSSTOX compound identifier
DTXCID00400248
0 references
UNII
DU3YJ8UT7T
1 reference
matched by identifier from
InChIKey
InChIKey
LZOLWEQBVPVDPR-JLTOFOAXSA-N
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