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CHEBI:207979 - Mechercharmycin B

ChEBI IDCHEBI:207979
ChEBI NameMechercharmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36N8O10
Net Charge0
Average Mass728.719
Monoisotopic Mass728.25544
SMILESC=C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)c1nc(-c2coc(C(=O)OC)n2)oc1-c1ccccc1)[C@@H](C)CC)C(C)C)c1nc(-c2nc(C(N)=O)co2)co1
InChIInChI=1S/C35H36N8O10/c1-7-17(4)24(42-30(47)25-26(19-11-9-8-10-12-19)53-33(43-25)22-15-52-34(40-22)35(48)49-6)29(46)41-23(16(2)3)28(45)37-18(5)31-39-21(14-50-31)32-38-20(13-51-32)27(36)44/h8-17,23-24H,5,7H2,1-4,6H3,(H2,36,44)(H,37,45)(H,41,46)(H,42,47)/t17-,23-,24+/m0/s1
InChIKeyLNXCNAKRXKEHQH-YRUKQIKQSA-N
Species of MetaboliteComponentSourceComments
Thermoactinomyces (ncbitaxon:2023) - DOI (10.1038/ja.2005.36)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mechercharmycin B (CHEBI:207979) is a dipeptide (CHEBI:46761)
IUPAC Name 
methyl 4-[4-[[(2R,3S)-1-[[(2S)-1-[1-[4-(4-carbamoyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]ethenylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-5-phenyl-1,3-oxazol-2-yl]-1,3-oxazole-2-carboxylate
Manual XrefsDatabases
9449120ChemSpider