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CHEBI:216801 - Rhabdopeptide I

ChEBI IDCHEBI:216801
ChEBI NameRhabdopeptide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54N6O4
Net Charge0
Average Mass598.833
Monoisotopic Mass598.42065
SMILESCN[C@H](C(=O)N[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
InChIInChI=1S/C33H54N6O4/c1-19(2)26(34-9)30(40)37-27(20(3)4)32(42)39(11)29(22(7)8)33(43)38(10)28(21(5)6)31(41)35-17-16-23-18-36-25-15-13-12-14-24(23)25/h12-15,18-22,26-29,34,36H,16-17H2,1-11H3,(H,35,41)(H,37,40)/t26-,27-,28-,29-/m0/s1
InChIKeyPRSLJVZAOGJMJE-DZUOILHNSA-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 I (CHEBI:216801) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(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]-3-methyl-2-(methylamino)butanamide