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English
(3S)-3-{[(Benzyloxy)carbonyl]amino}-2-hydroxyhexanoic acid
group of stereoisomers with the chemical formula C₁₄H₁₉NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
281.12632270800003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₉NO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(N=C(O)OCc1ccccc1)C(O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC[C@H](N=C(O)OCc1ccccc1)C(O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H19NO5/c1-2-6-11(12(16)13(17)18)15-14(19)20-9-10-7-4-3-5-8-10/h3-5,7-8,11-12,16H,2,6,9H2,1H3,(H,15,19)(H,17,18)/t11-,12?/m0/s1
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InChIKey
PSFAENHDIYWHKP-PXYINDEMSA-N
0 references
CAS Registry Number
402959-33-5
1 reference
InChIKey
PSFAENHDIYWHKP-PXYINDEMSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=402959-33-5
PubChem CID
59428246
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57483529
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30731991
0 references
DSSTOX compound identifier
DTXCID10682735
0 references
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