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CHEBI:216822 - Rhabdopeptide N

ChEBI IDCHEBI:216822
ChEBI NameRhabdopeptide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62N6O5
Net Charge0
Average Mass658.929
Monoisotopic Mass658.47817
SMILESCN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C36H62N6O5/c1-21(2)27(37-11)32(43)39-28(22(3)4)35(46)42(13)31(25(9)10)34(45)40-29(23(5)6)36(47)41(12)30(24(7)8)33(44)38-20-19-26-17-15-14-16-18-26/h14-18,21-25,27-31,37H,19-20H2,1-13H3,(H,38,44)(H,39,43)(H,40,45)/t27-,28-,29-,30-,31-/m0/s1
InChIKeyALLGHWPOPAFFFS-QKUYTOGTSA-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 N (CHEBI:216822) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]butanamide