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(Q82329441)
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English
N2-(1-Carboxyethyl)-L-arginine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
246.132805056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
D-octopine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
D-octopine dizwitterion
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₈N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6-/m0/s1
0 references
InChIKey
IMXSCCDUAFEIOE-WDSKDSINSA-N
0 references
CAS Registry Number
63358-47-4
0 references
PubChem CID
12313676
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-WDSKDSINSA-N
UniChem compound ID
7228607
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Keio_Univ-KO003652
0 references
MSBNK-Keio_Univ-KO003653
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MSBNK-Keio_Univ-KO003654
0 references
MSBNK-Keio_Univ-KO003655
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MSBNK-Keio_Univ-KO003656
0 references
MSBNK-Keio_Univ-KO009138
0 references
MSBNK-Keio_Univ-KO009139
0 references
MSBNK-Keio_Univ-KO009140
0 references
MSBNK-Keio_Univ-KO009141
0 references
MSBNK-Keio_Univ-KO009142
0 references
MSBNK-Keio_Univ-KO001540
0 references
MSBNK-Keio_Univ-KO001541
0 references
MSBNK-Keio_Univ-KO001542
0 references
MSBNK-Keio_Univ-KO001543
0 references
MSBNK-Keio_Univ-KO001544
0 references
DSSTox substance ID
DTXSID50487423
1 reference
matched by identifier from
InChIKey
InChIKey
IMXSCCDUAFEIOE-WDSKDSINSA-N
DSSTOX compound identifier
DTXCID50438233
0 references
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