Anabaenopeptin NZ841

chemical compound

Wikidata entity: Q105263822

C₄₅H₅₉N₇O₉ (P274)

Quantities

P2067mass841.437426468

P233 canonical SMILES String CCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(CCc2ccccc2)NC(=O)CN(C)C(=O)C(CCc2ccc(O)cc2)NC1=O ???
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P703 found in taxon ... Q25202825 (Cyanobacterium) Cyanobacterium
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCCCNC(=O)[C@H](CCc2ccccc2)NC(=O)CN(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O ???
P3364 stereoisomer of ... Q77519482 (Anabaenopeptin NZ841) Anabaenopeptin NZ841
P279 subclass of ... Q104197796 (2-[[12-Butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-3-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid) 2-[[12-Butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-3-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
External Ids
P683ChEBI ID210072
P3117DSSTox substance IDDTXSID501334485
P234InChIInChI=1S/C45H59N7O9/c1-4-29(2)39-42(57)48-36(25-21-31-18-22-33(53)23-19-31)43(58)52(3)28-38(54)47-35(24-20-30-13-7-5-8-14-30)40(55)46-26-12-11-17-34(41(56)51-39)49-45(61)50-37(44(59)60)27-32-15-9-6-10-16-32/h5-10,13-16,18-19,22-23,29,34-37,39,53H,4,11-12,17,20-21,24-28H2,1-3H3,(H,46,55)(H,47,54)(H,48,57)(H,51,56)(H,59,60)(H2,49,50,61)/t29-,34-,35+,36+,37+,39+/m1/s1
P235InChIKeySYWACJBJVZMIAB-FVGXMBITSA-N
P7746Natural Product Atlas IDNPA014095
P662PubChem CID25136362
P11089UniChem compound ID33293536

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