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CHEBI:202547 - (2S)-2-[[5-amino-7-[[(1S)-1-carboxy-2-phenylethyl]amino]-7-oxoheptanoyl]amino]-3-phenylpropanoic acid

ChEBI IDCHEBI:202547
ChEBI Name(2S)-2-[[5-amino-7-[[(1S)-1-carboxy-2-phenylethyl]amino]-7-oxoheptanoyl]amino]-3-phenylpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31N3O6
Net Charge0
Average Mass469.538
Monoisotopic Mass469.22129
SMILESNC(CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H31N3O6/c26-19(16-23(30)28-21(25(33)34)15-18-10-5-2-6-11-18)12-7-13-22(29)27-20(24(31)32)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,26H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t19?,20-,21-/m0/s1
InChIKeyYDRFWTMLXCWRLI-AKQSQHNNSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - PubMed (11076579)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[5-amino-7-[[(1S)-1-carboxy-2-phenylethyl]amino]-7-oxoheptanoyl]amino]-3-phenylpropanoic acid (CHEBI:202547) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[5-amino-7-[[(1S)-1-carboxy-2-phenylethyl]amino]-7-oxoheptanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
8942040ChemSpider