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CHEBI:219908 - Cystobactamid 877-2

Default Structure
ChEBI IDCHEBI:219908
ChEBI NameCystobactamid 877-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H39N7O14
Net Charge0
Average Mass877.820
Monoisotopic Mass877.25550
SMILESCCOc1c(NC(=O)c2ccc(NC(=O)[C@@H](NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)[C@@H](OC)C(N)=O)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2OC)c1O
InChIInChI=1S/C43H39N7O14/c1-4-64-35-31(20-18-29(34(35)51)41(56)47-30-19-11-25(43(58)59)21-32(30)62-2)48-39(54)22-5-14-27(15-6-22)46-42(57)33(36(63-3)37(44)52)49-40(55)23-7-12-26(13-8-23)45-38(53)24-9-16-28(17-10-24)50(60)61/h5-21,33,36,51H,4H2,1-3H3,(H2,44,52)(H,45,53)(H,46,57)(H,47,56)(H,48,54)(H,49,55)(H,58,59)/t33-,36+/m0/s1
InChIKeyNZOHTAUQQNHHDZ-MSEJLTFDSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (28730677)
ChEBI Ontology
Outgoing Relation(s)
Cystobactamid 877-2 (CHEBI:219908) 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]-3-ethoxy-2-hydroxybenzoyl]amino]-3-methoxybenzoic acid