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CHEBI:199596 - Cordyheptapeptide B

ChEBI IDCHEBI:199596
ChEBI NameCordyheptapeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H65N7O7
Net Charge0
Average Mass864.101
Monoisotopic Mass863.49455
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C49H65N7O7/c1-8-33(4)43-45(59)51-37(27-32(2)3)46(60)55(7)41(30-36-23-16-11-17-24-36)49(63)56-26-18-25-39(56)48(62)53(5)31-42(57)50-38(28-34-19-12-9-13-20-34)47(61)54(6)40(44(58)52-43)29-35-21-14-10-15-22-35/h9-17,19-24,32-33,37-41,43H,8,18,25-31H2,1-7H3,(H,50,57)(H,51,59)(H,52,58)/t33-,37-,38-,39-,40-,41+,43-/m0/s1
InChIKeyUVPLWQIDJSLMEL-JXSFLUKESA-N
Species of MetaboliteComponentSourceComments
Cordyceps (ncbitaxon:45234) - PubMed (17887724)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cordyheptapeptide B (CHEBI:199596) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12S,15S,21S)-3,12,15-tribenzyl-9-[(2S)-butan-2-yl]-4,13,19-trimethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
78436515ChemSpider