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CHEBI:214080 - Nocardiotide A

ChEBI IDCHEBI:214080
ChEBI NameNocardiotide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H56N8O6
Net Charge0
Average Mass768.960
Monoisotopic Mass768.43228
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C42H56N8O6/c1-8-24(6)36-42(56)48-33(18-26-20-43-30-15-11-9-13-28(26)30)38(52)47-32(17-22(2)3)39(53)49-35(23(4)5)41(55)45-25(7)37(51)46-34(40(54)50-36)19-27-21-44-31-16-12-10-14-29(27)31/h9-16,20-25,32-36,43-44H,8,17-19H2,1-7H3,(H,45,55)(H,46,51)(H,47,52)(H,48,56)(H,49,53)(H,50,54)/t24-,25-,32-,33-,34-,35-,36-/m0/s1
InChIKeyIFGOPJQBSCYFNZ-ROQCHDOVSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - DOI (10.3390/md16090290)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nocardiotide A (CHEBI:214080) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9S,12S,15S,18S)-3-[(2S)-butan-2-yl]-6,18-bis(1H-indol-3-ylmethyl)-9-methyl-15-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78439887ChemSpider