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CHEBI:221340 - Anabaenopeptin 877b

ChEBI IDCHEBI:221340
ChEBI NameAnabaenopeptin 877b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67N9O9
Net Charge0
Average Mass878.085
Monoisotopic Mass877.50617
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(CCCCN)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)N(CC)C(=O)C(CC(=O)NC)NC(=O)C(CCc2ccccc2)NC1=O
InChIInChI=1S/C45H67N9O9/c1-5-29(3)38-42(59)49-33(24-23-30-17-9-7-10-18-30)39(56)50-35(28-37(55)47-4)43(60)54(6-2)36(27-31-19-11-8-12-20-31)41(58)48-26-16-14-21-32(40(57)53-38)51-45(63)52-34(44(61)62)22-13-15-25-46/h7-12,17-20,29,32-36,38H,5-6,13-16,21-28,46H2,1-4H3,(H,47,55)(H,48,58)(H,49,59)(H,50,56)(H,53,57)(H,61,62)(H2,51,52,63)
InChIKeyLIKRYFQXLJBHLY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenopeptin 877b (CHEBI:221340) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
6-amino-2-[[3-benzyl-12-butan-2-yl-4-ethyl-6-[2-(methylamino)-2-oxoethyl]-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid