Cyanopeptolin D
AlkaPlorer ID: AK067046
Synonym: '', 'Cyanopeptolin D'
IUPAC Name: (3R)-4-[[(2S,5R,8R,11R,12S,15R,18S,21S)-5-benzyl-15-[4-(dimethylamino)butyl]-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)C)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/C48H76N8O12/c1-10-11-13-21-37(57)49-34(27-39(59)60)43(62)53-41-30(6)68-48(67)40(29(4)5)52-44(63)35(26-31-18-14-12-15-19-31)55(9)47(66)36(25-28(2)3)56-38(58)23-22-33(46(56)65)51-42(61)32(50-45(41)64)20-16-17-24-54(7)8/h12,14-15,18-19,28-30,32-36,38,40-41,58H,10-11,13,16-17,20-27H2,1-9H3,(H,49,57)(H,50,64)(H,51,61)(H,52,63)(H,53,62)(H,59,60)/t30-,32-,33+,34-,35-,36+,38+,40-,41+/m1/s1
InChIKey: DXELFTOXIMDPAT-UFWISJDFSA-N
Reference
Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. pcc 7806.
PubChem CID: 162921502
LOTUS: LTS0167615
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 957.18
TPSA？: 290.64
MolLogP？: 5.425300000000012
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|