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(Q82819728)
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English
N-[1-Carboxy-3-(4-iodoanilino)propyl]-L-alanyl-L-proline
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
489.0760688679999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄IN₃O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(NC(CCNc1ccc(I)cc1)C(=O)O)C(=O)N1CCCC1C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](NC(CCNc1ccc(I)cc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H24IN3O5/c1-11(16(23)22-10-2-3-15(22)18(26)27)21-14(17(24)25)8-9-20-13-6-4-12(19)5-7-13/h4-7,11,14-15,20-21H,2-3,8-10H2,1H3,(H,24,25)(H,26,27)/t11-,14?,15-/m0/s1
0 references
InChIKey
OUXDOHAPLGPGFU-NGKXAEKTSA-N
0 references
CAS Registry Number
86938-24-1
0 references
PubChem CID
71413622
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58328776
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20833135
0 references
DSSTOX compound identifier
DTXCID10783877
0 references
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