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CHEBI:219368 - Rhabdopeptide 5

ChEBI IDCHEBI:219368
ChEBI NameRhabdopeptide 5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H77N7O6
Net Charge0
Average Mass800.143
Monoisotopic Mass799.59353
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[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)NCCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C44H77N7O6/c1-26(2)25-33(45-13)41(54)48(14)36(29(7)8)40(53)47-34(27(3)4)42(55)50(16)37(30(9)10)44(57)51(17)38(31(11)12)43(56)49(15)35(28(5)6)39(52)46-24-23-32-21-19-18-20-22-32/h18-22,26-31,33-38,45H,23-25H2,1-17H3,(H,46,52)(H,47,53)/t33-,34+,35+,36+,37+,38+/m0/s1
InChIKeyVLFWVZNKJFXIER-RLLYISHSSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - PubMed (24038745)
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 5 (CHEBI:219368) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N,4-dimethyl-2-(methylamino)-N-[(2R)-3-methyl-1-[[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-[methyl-[(2R)-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]amino]-1-oxobutan-2-yl]pentanamide
Manual XrefsDatabases
78442829ChemSpider