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English
(3R)-3-{[(Benzyloxy)carbonyl]amino}butanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
237.10010796
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3S)-3-{[(Benzyloxy)carbonyl]amino}butanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅NO₄
0 references
canonical SMILES
CC(CC(=O)O)NC(=O)OCc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C12H15NO4/c1-9(7-11(14)15)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
0 references
InChIKey
HYWJKPFAIAWVHP-SECBINFHSA-N
0 references
CAS Registry Number
67843-72-5
0 references
PubChem CID
14221352
1 reference
matched by identifier from
InChIKey
InChIKey
HYWJKPFAIAWVHP-SECBINFHSA-N
SureChEMBL ID
SCHEMBL265847
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYWJKPFAIAWVHP-SECBINFHSA-N
UniChem compound ID
24556271
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00557569
1 reference
matched by identifier from
InChIKey
InChIKey
HYWJKPFAIAWVHP-SECBINFHSA-N
DSSTOX compound identifier
DTXCID20508351
0 references
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