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CHEBI:219903 - Cystobactamid 861-2

Default Structure
ChEBI IDCHEBI:219903
ChEBI NameCystobactamid 861-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H39N7O13
Net Charge0
Average Mass861.821
Monoisotopic Mass861.26058
SMILESCO[C@@H](C(N)=O)[C@H](NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)c(O)c2OC(C)C)cc1
InChIInChI=1S/C43H39N7O13/c1-22(2)63-35-32(21-20-31(34(35)51)41(56)46-28-16-8-26(9-17-28)43(58)59)48-39(54)23-4-14-29(15-5-23)47-42(57)33(36(62-3)37(44)52)49-40(55)24-6-12-27(13-7-24)45-38(53)25-10-18-30(19-11-25)50(60)61/h4-22,33,36,51H,1-3H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,57)(H,48,54)(H,49,55)(H,58,59)/t33-,36+/m0/s1
InChIKeyNGSYXDCEERWVTK-MSEJLTFDSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (28730677)
ChEBI Ontology
Outgoing Relation(s)
Cystobactamid 861-2 (CHEBI:219903) is a benzamides (CHEBI:22702)
IUPAC Name 
4-[[4-[[4-[[(2S,3R)-4-amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]benzoic acid