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(Q82456450)
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English
N-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-L-histidine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
356.11206961199997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₁₆N₄O₅
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canonical SMILES
O=C(CCN1C(=O)c2ccccc2C1=O)NC(Cc1cnc[nH]1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)N[C@@H](CC3=CN=CN3)C(=O)O
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Identifiers
InChI
InChI=1S/C17H16N4O5/c22-14(20-13(17(25)26)7-10-8-18-9-19-10)5-6-21-15(23)11-3-1-2-4-12(11)16(21)24/h1-4,8-9,13H,5-7H2,(H,18,19)(H,20,22)(H,25,26)/t13-/m0/s1
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InChIKey
PMMWFDIRNLJLDO-ZDUSSCGKSA-N
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CAS Registry Number
7389-97-1
1 reference
InChIKey
PMMWFDIRNLJLDO-ZDUSSCGKSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=7389-97-1
PubChem CID
15160192
1 reference
matched by identifier from
InChIKey
InChIKey
PMMWFDIRNLJLDO-ZDUSSCGKSA-N
UniChem compound ID
65598919
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60569325
1 reference
matched by identifier from
InChIKey
InChIKey
PMMWFDIRNLJLDO-ZDUSSCGKSA-N
DSSTOX compound identifier
DTXCID60520097
0 references
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