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CHEBI:221329 - Anabaenopeptin 897

ChEBI IDCHEBI:221329
ChEBI NameAnabaenopeptin 897
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64N8O9
Net Charge0
Average Mass897.087
Monoisotopic Mass896.47963
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)N(C)C(=O)C(CCc2ccccc2)N(CC)C1=O
InChIInChI=1S/C48H64N8O9/c1-5-31(3)41-46(62)56(6-2)38(26-25-32-18-10-7-11-19-32)45(61)55(4)39(30-40(49)57)44(60)51-36(28-33-20-12-8-13-21-33)42(58)50-27-17-16-24-35(43(59)54-41)52-48(65)53-37(47(63)64)29-34-22-14-9-15-23-34/h7-15,18-23,31,35-39,41H,5-6,16-17,24-30H2,1-4H3,(H2,49,57)(H,50,58)(H,51,60)(H,54,59)(H,63,64)(H2,52,53,65)
InChIKeyIZGWGAQDCIDRBV-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 897 (CHEBI:221329) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[6-(2-amino-2-oxoethyl)-3-benzyl-12-butan-2-yl-10-ethyl-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid