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CHEBI:200195 - Stereocalpin A

ChEBI IDCHEBI:200195
ChEBI NameStereocalpin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O5
Net Charge0
Average Mass492.616
Monoisotopic Mass492.26242
SMILESCCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)C(=O)[C@H]1C
InChIInChI=1S/C29H36N2O5/c1-5-12-25-19(2)26(32)20(3)27(33)30-23(17-21-13-8-6-9-14-21)28(34)31(4)24(29(35)36-25)18-22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25H,5,12,17-18H2,1-4H3,(H,30,33)/t19-,20+,23-,24-,25-/m0/s1
InChIKeyPKKZNSZCFXCHRE-TYCVKICSSA-N
Species of MetaboliteComponentSourceComments
Stereocaulon alpinum (ncbitaxon:350623) - DOI (10.1016/j.tetlet.2007.11.022)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stereocalpin A (CHEBI:200195) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,11S,12S)-3,6-dibenzyl-4,9,11-trimethyl-12-propyl-1-oxa-4,7-diazacyclododecane-2,5,8,10-tetrone
Manual XrefsDatabases
28284794ChemSpider