Cyanopeptolin B
AlkaPlorer ID: AK014155
Synonym: '', 'Cyanopeptolin B'
IUPAC Name: (3R)-4-[[(2R,5S,8S,11S,12R,15R,18R,21R)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
Structure
SMILES: CCCCCC(O)=N[C@H](CC(=O)O)C(O)=N[C@H]1C(O)=N[C@H](CCCCN)C(O)=N[C@@H]2CC[C@@H](O)N(C2=O)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](C(C)C)C(=O)O[C@H]1C
InChI: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31+,32+,33-,34+,36+,38-,39+/m0/s1
InChIKey: KSVGOBQTQGOLQM-OCAFKQGFSA-N
Reference
Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. pcc 7806.
PubChem CID: 163017359
LOTUS: LTS0043072
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 929.126
TPSA？: 313.42
MolLogP？: 4.822400000000012
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|