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CHEBI:206283 - Simplicilliumtide D

ChEBI IDCHEBI:206283
ChEBI NameSimplicilliumtide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37N3O6
Net Charge0
Average Mass463.575
Monoisotopic Mass463.26824
SMILESCC[C@@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C24H37N3O6/c1-7-15(4)21(25-16(5)28)23(31)27(6)20(13-17-8-10-18(29)11-9-17)22(30)26-19(24(32)33)12-14(2)3/h8-11,14-15,19-21,29H,7,12-13H2,1-6H3,(H,25,28)(H,26,30)(H,32,33)/t15-,19+,20-,21+/m1/s1
InChIKeyYHTMLXXWOFCLDF-QAJUQPOASA-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 D (CHEBI:206283) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S,3R)-2-acetamido-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
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58196799ChemSpider