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CHEBI:207561 - Phepropeptin C

ChEBI IDCHEBI:207561
ChEBI NamePhepropeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60N6O6
Net Charge0
Average Mass696.934
Monoisotopic Mass696.45743
SMILESCCC(C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C38H60N6O6/c1-9-25(8)32-37(49)41-28(19-23(4)5)34(46)42-30(21-26-14-11-10-12-15-26)38(50)44-17-13-16-31(44)36(48)40-27(18-22(2)3)33(45)39-29(20-24(6)7)35(47)43-32/h10-12,14-15,22-25,27-32H,9,13,16-21H2,1-8H3,(H,39,45)(H,40,48)(H,41,49)(H,42,46)(H,43,47)/t25?,27-,28-,29+,30+,31+,32-/m0/s1
InChIKeyAKQUYKYHJPCGHJ-OMPYVEQSSA-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 C (CHEBI:207561) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9S,12R,15S,18R)-3-benzyl-9-butan-2-yl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78437893ChemSpider