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(Q83045915)
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Pyroglutamylleucine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
242.126657056
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₈N₂O₄
0 references
canonical SMILES
CC(C)CC(NC(=O)C1CCC(=O)N1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCC(=O)N1
0 references
Identifiers
InChI
InChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8-/m0/s1
0 references
InChIKey
XXSAFGVAPGOYNT-YUMQZZPRSA-N
0 references
CAS Registry Number
21282-11-1
0 references
PubChem CID
152417
1 reference
matched by identifier from
InChIKey
InChIKey
XXSAFGVAPGOYNT-YUMQZZPRSA-N
ChEBI ID
176450
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8-/m0/s1
UniChem compound ID
26163924
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50175550
1 reference
matched by identifier from
InChIKey
InChIKey
XXSAFGVAPGOYNT-YUMQZZPRSA-N
DSSTOX compound identifier
DTXCID6098041
0 references
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