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CHEBI:28253 - N-acetyl-L-phenylalanyl-L-diiodotyrosine

ChEBI IDCHEBI:28253
ChEBI NameN-acetyl-L-phenylalanyl-L-diiodotyrosine
Stars
ASCII NameN-acetyl-L-phenylalanyl-L-diiodotyrosine
DefinitionA dipeptide composed of N-acetyl-L-phenylalanine and 3,5-diiodo-L-tyrosine joined together by a peptide linkage. It is a synthetic substrate for pepsin.
Secondary ChEBI IDsCHEBI:7156, CHEBI:21559
Last Modified30 January 2023
DownloadsMolfile
FormulaC20H20I2N2O5
Net Charge0
Average Mass622.197
Monoisotopic Mass621.94617
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
InChIInChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1
InChIKeyDWIHCEZUWCRUES-IRXDYDNUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-phenylalanyl-L-diiodotyrosine (CHEBI:28253) has functional parent N-acetyl-L-phenylalanine (CHEBI:16259)
N-acetyl-L-phenylalanyl-L-diiodotyrosine (CHEBI:28253) has functional parent 3,5-diiodo-L-tyrosine (CHEBI:15768)
N-acetyl-L-phenylalanyl-L-diiodotyrosine (CHEBI:28253) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine
Synonyms  Source
N-acetyl-L-phenylalanyl-L-diiodotyrosineKEGG COMPOUND
N-acetyl-L-Phe-3,5-diiodo-L-Tyr-OHChEBI
N-(N-acetyl-L-phenylalanyl)-3,5-diiodo-L-tyrosineChEBI
Ac-Phe-3,5-diiodo-Tyr-OHChEBI
acetyl-L-phenylalanyl-L-diiodotyrosineChEBI
N-acetyl-L-phenylalanyl-L-3,5-diiodotyrosineChEBI
Manual XrefsDatabases
C04418KEGG COMPOUND
HMDB0255059HMDB
Registry NumbersSources
CAS:3786-08-1ChEBI
Citations