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CHEBI:211831 - Phepropeptin D

ChEBI IDCHEBI:211831
ChEBI NamePhepropeptin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H58N6O6
Net Charge0
Average Mass730.951
Monoisotopic Mass730.44178
SMILESCCC(C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C41H58N6O6/c1-7-27(6)35-40(52)44-30(21-25(2)3)36(48)45-33(24-29-17-12-9-13-18-29)41(53)47-20-14-19-34(47)39(51)43-32(23-28-15-10-8-11-16-28)37(49)42-31(22-26(4)5)38(50)46-35/h8-13,15-18,25-27,30-35H,7,14,19-24H2,1-6H3,(H,42,49)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t27?,30-,31+,32-,33+,34+,35-/m0/s1
InChIKeyRDFYNJULNCUNKD-SJZSTPBESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (11827028)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phepropeptin D (CHEBI:211831) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12R,15S,18R)-3,15-dibenzyl-9-butan-2-yl-6,12-bis(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78438532ChemSpider