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CHEBI:58981 - N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-βAlaGlyGly

ChEBI IDCHEBI:58981
ChEBI NameN-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-βAlaGlyGly
Stars
ASCII NameN-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-betaAlaGlyGly
DefinitionA tripeptide consisting of βAlaGlyGly with a 4-hydroxy-3-iodo-5-nitrophenylacetyl substituent on the β-alanine nitrogen.
Last Modified21 October 2015
Submitterzjosephs
DownloadsMolfile
FormulaC15H17IN4O8
Net Charge0
Average Mass508.225
Monoisotopic Mass508.00911
SMILESO=C(O)CNC(=O)CNC(=O)CCNC(=O)Cc1cc(I)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17IN4O8/c16-9-3-8(4-10(15(9)26)20(27)28)5-12(22)17-2-1-11(21)18-6-13(23)19-7-14(24)25/h3-4,26H,1-2,5-7H2,(H,17,22)(H,18,21)(H,19,23)(H,24,25)
InChIKeyPVVDIABOQGQVCB-UHFFFAOYSA-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-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-βAlaGlyGly (CHEBI:58981) is a 2-nitrophenols (CHEBI:86421)
N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-βAlaGlyGly (CHEBI:58981) is a tripeptide (CHEBI:47923)
IUPAC Name 
N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-β-alanylglycylglycine
Synonym  Source
N-(4-hydroxy-3-iodo-5-nitrophenylacetyl)-β-alanylglycylglycineChEBI
Citations