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CHEBI:230823 - Cfp-aaf-pab

ChEBI IDCHEBI:230823
ChEBI NameCfp-aaf-pab
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N4O7
Net Charge0
Average Mass588.661
Monoisotopic Mass588.25840
SMILESC[C@H](NC(=O)[C@H](C)NC(CCc1ccccc1)C(=O)O)C(=O)NC(=O)[C@H](Cc1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C32H36N4O7/c1-20(33-26(32(42)43)18-13-22-9-5-3-6-10-22)28(37)34-21(2)29(38)36-30(39)27(19-23-11-7-4-8-12-23)35-25-16-14-24(15-17-25)31(40)41/h3-12,14-17,20-21,26-27,33,35H,13,18-19H2,1-2H3,(H,34,37)(H,40,41)(H,42,43)(H,36,38,39)/t20-,21-,26?,27-/m0/s1
InChIKeyUZKWDJFXHHHJFU-FFXSJNGMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cfp-aaf-pab (CHEBI:230823) is a peptide (CHEBI:16670)
IUPAC Name 
4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
Manual XrefsDatabases
4677831ChemSpider