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CHEBI:209571 - Simplicilliumtide F

ChEBI IDCHEBI:209571
ChEBI NameSimplicilliumtide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35N3O5
Net Charge0
Average Mass433.549
Monoisotopic Mass433.25767
SMILESCC(=O)NC(C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C23H35N3O5/c1-14(2)12-18(23(30)31)25-21(28)19(13-17-10-8-7-9-11-17)26(6)22(29)20(15(3)4)24-16(5)27/h7-11,14-15,18-20H,12-13H2,1-6H3,(H,24,27)(H,25,28)(H,30,31)/t18-,19+,20?/m0/s1
InChIKeyOAPXADPUGXUVNF-ABZYKWASSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - DOI (10.1016/j.tet.2016.04.032)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Simplicilliumtide F (CHEBI:209571) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-2-[(2-acetamido-3-methylbutanoyl)-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
58196801ChemSpider