(2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7,10-trimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

chemical compound

Wikidata entity: Q105100623

C₄₂H₆₂N₁₀O₉ (P274)

Quantities

P2067mass850.470123564

P233 canonical SMILES String CC(C)C1NC(=O)C(NC(=O)NC(CCCNC(=N)N)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)N(C)C1=O ???
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P703 found in taxon ... Q15946660 (Romanoa) Romanoa
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)N(C)C1=O ???
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
External Ids
P234InChIInChI=1S/C42H62N10O9/c1-25(2)34-39(58)52(5)33(21-18-27-16-19-29(53)20-17-27)38(57)51(4)26(3)35(54)47-32(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)50-34)48-42(61)49-31(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,9-11,14-15,18,21-24H2,1-5H3,(H,45,55)(H,47,54)(H,50,56)(H,59,60)(H4,43,44,46)(H2,48,49,61)/t26-,30+,31-,32-,33-,34-/m0/s1
P235InChIKeyBFLURJDTSAXPNZ-NCUXDPMLSA-N
P662PubChem CID44558924
P2877SureChEMBL ID29885654
P11089UniChem compound ID214111

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