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CHEBI:193895 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193895
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O8S
Net Charge0
Average Mass469.516
Monoisotopic Mass469.15189
SMILESCC(C=O)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C20H27N3O8S/c1-11(9-24)18(12-2-4-13(25)5-3-12)32-10-15(19(29)22-8-17(27)28)23-16(26)7-6-14(21)20(30)31/h2-5,9,11,14-15,18,25H,6-8,10,21H2,1H3,(H,22,29)(H,23,26)(H,27,28)(H,30,31)
InChIKeyVGSIXSURMOKXRO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193895) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid