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CHEBI:203965 - Tyropeptin B

ChEBI IDCHEBI:203965
ChEBI NameTyropeptin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37N3O6
Net Charge0
Average Mass511.619
Monoisotopic Mass511.26824
SMILESCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C28H37N3O6/c1-4-5-26(35)30-25(16-20-8-12-23(34)13-9-20)28(37)31-24(14-18(2)3)27(36)29-21(17-32)15-19-6-10-22(33)11-7-19/h6-13,17-18,21,24-25,33-34H,4-5,14-16H2,1-3H3,(H,29,36)(H,30,35)(H,31,37)/t21?,24-,25-/m0/s1
InChIKeySYAOZPXWOOYNES-MHKYCTGGSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora (ncbitaxon:2063) - PubMed (11858671)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tyropeptin B (CHEBI:203965) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
Manual XrefsDatabases
9202817ChemSpider