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CHEBI:225219 - JBIR-148

ChEBI IDCHEBI:225219
ChEBI NameJBIR-148
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23ClN4O5
Net Charge0
Average Mass434.880
Monoisotopic Mass434.13570
SMILESCn1cc(C2=N[C@](C)(C(=O)N[C@H](C(=O)O)[C@H]3CCCN3)CO2)c2c(O)cc(Cl)cc21
InChIInChI=1S/C20H23ClN4O5/c1-20(19(29)23-16(18(27)28)12-4-3-5-22-12)9-30-17(24-20)11-8-25(2)13-6-10(21)7-14(26)15(11)13/h6-8,12,16,22,26H,3-5,9H2,1-2H3,(H,23,29)(H,27,28)/t12-,16+,20+/m1/s1
InChIKeyATUNGSWCIOHXCD-QROBEVECSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2015.07.080)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JBIR-148 (CHEBI:225219) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(4S)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-[(2R)-pyrrolidin-2-yl]acetic acid
Manual XrefsDatabases
78441922ChemSpider