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(Q82975228)
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English
N-[Hydroxy(1-lysylpyrrolidin-2-yl)methylidene]valine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
342.22670544000005
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₃₀N₄O₄
0 references
canonical SMILES
CC(C)C(NC(=O)C1CCCN1C(=O)C(N)CCCCN)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N
0 references
Identifiers
InChI
InChI=1S/C16H30N4O4/c1-10(2)13(16(23)24)19-14(21)12-7-5-9-20(12)15(22)11(18)6-3-4-8-17/h10-13H,3-9,17-18H2,1-2H3,(H,19,21)(H,23,24)/t11-,12-,13-/m0/s1
0 references
InChIKey
YSPZCHGIWAQVKQ-AVGNSLFASA-N
0 references
CAS Registry Number
67727-97-3
0 references
PubChem CID
125672
1 reference
matched by identifier from
InChIKey
InChIKey
YSPZCHGIWAQVKQ-AVGNSLFASA-N
ChEBI ID
160254
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H30N4O4/c1-10(2)13(16(23)24)19-14(21)12-7-5-9-20(12)15(22)11(18)6-3-4-8-17/h10-13H,3-9,17-18H2,1-2H3,(H,19,21)(H,23,24)/t11-,12-,13-/m0/s1
UniChem compound ID
32833400
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80987067
1 reference
matched by identifier from
InChIKey
InChIKey
YSPZCHGIWAQVKQ-AVGNSLFASA-N
DSSTOX compound identifier
DTXCID901414239
0 references
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