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CHEBI:216807 - Rhabdopeptide J

ChEBI IDCHEBI:216807
ChEBI NameRhabdopeptide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H65N7O5
Net Charge0
Average Mass711.993
Monoisotopic Mass711.50472
SMILESCN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)NCCc1cnc2ccccc12)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C39H65N7O5/c1-22(2)30(40-11)35(47)43-31(23(3)4)37(49)45(13)33(25(7)8)39(51)46(14)34(26(9)10)38(50)44(12)32(24(5)6)36(48)41-20-19-27-21-42-29-18-16-15-17-28(27)29/h15-18,21-26,30-34,40,42H,19-20H2,1-14H3,(H,41,48)(H,43,47)/t30-,31-,32-,33-,34-/m0/s1
InChIKeyOVPJHKWQAPWZMB-LJADHVKFSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (29597344)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rhabdopeptide J (CHEBI:216807) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide