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CHEBI:184146 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:184146
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33N3O7S
Net Charge0
Average Mass531.631
Monoisotopic Mass531.20392
SMILESNC(CCC(=O)NC(CSC(CO)(CCc1ccccc1)c1ccccc1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C26H33N3O7S/c27-20(25(35)36)11-12-22(31)29-21(24(34)28-15-23(32)33)16-37-26(17-30,19-9-5-2-6-10-19)14-13-18-7-3-1-4-8-18/h1-10,20-21,30H,11-17,27H2,(H,28,34)(H,29,31)(H,32,33)(H,35,36)
InChIKeyZAUNDIWOHLSQHC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
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-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:184146) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-(1-hydroxy-2,4-diphenylbutan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0135577HMDB