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CHEBI:210035 - Myropeptin B

ChEBI IDCHEBI:210035
ChEBI NameMyropeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H142N18O20
Net Charge0
Average Mass1712.155
Monoisotopic Mass1711.06478
SMILESCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/m0/s1
InChIKeyJOSZEHOSQKJAHT-QDDNDEIWSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (31497968)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Myropeptin B (CHEBI:210035) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[3-[[2-[[2-[[(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid