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CHEBI:197871 - Cyclo-(L-Phe-L-Leu1-L-Leu2-L-Leu3-L-Ile)

Default Structure
ChEBI IDCHEBI:197871
ChEBI NameCyclo-(L-Phe-L-Leu1-L-Leu2-L-Leu3-L-Ile)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53N5O5
Net Charge0
Average Mass599.817
Monoisotopic Mass599.40467
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C33H53N5O5/c1-9-22(8)28-33(43)37-27(18-23-13-11-10-12-14-23)31(41)35-25(16-20(4)5)29(39)34-24(15-19(2)3)30(40)36-26(17-21(6)7)32(42)38-28/h10-14,19-22,24-28H,9,15-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)/t22-,24-,25-,26-,27-,28-/m0/s1
InChIKeyVGMLTLLPMXCNFE-LSXSSXCESA-N
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-(L-Phe-L-Leu1-L-Leu2-L-Leu3-L-Ile) (CHEBI:197871) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15S)-3-benzyl-6-[(2S)-butan-2-yl]-9,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
Manual XrefsDatabases
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