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CHEBI:193900 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193900
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O8S
Net Charge0
Average Mass469.516
Monoisotopic Mass469.15189
SMILESCOc1ccc(C(CC=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H27N3O8S/c1-31-13-4-2-12(3-5-13)16(8-9-24)32-11-15(19(28)22-10-18(26)27)23-17(25)7-6-14(21)20(29)30/h2-5,9,14-16H,6-8,10-11,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)
InChIKeyQUXAYFPZXJUNFR-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-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193900) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1-(4-methoxyphenyl)-3-oxopropyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid