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CHEBI:208266 - Cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)

ChEBI IDCHEBI:208266
ChEBI NameCyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H49N5O5
Net Charge0
Average Mass583.774
Monoisotopic Mass583.37337
SMILESCCC(C)[C@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C32H49N5O5/c1-8-21(6)27-30(40)33-23(17-19(2)3)31(41)37-16-12-15-24(37)32(42)36(7)25(18-22-13-10-9-11-14-22)28(38)34-26(20(4)5)29(39)35-27/h9-11,13-14,19-21,23-27H,8,12,15-18H2,1-7H3,(H,33,40)(H,34,38)(H,35,39)/t21?,23-,24-,25-,26-,27+/m0/s1
InChIKeyNSBVGLQWOAQURC-OLKMTBAESA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (21428374)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro) (CHEBI:208266) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6R,9S,12S,15S)-12-benzyl-6-butan-2-yl-13-methyl-3-(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Manual XrefsDatabases
28288814ChemSpider