Cyanopeptolin C
AlkaPlorer ID: AK013337
Synonym: 'Cyanopeptolin C', ''
IUPAC Name: (3S)-4-[[(2S,5R,8R,11R,12R,15R,18S,21S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-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](CCCCNC)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/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31-,32+,33+,34-,35+,37+,39-,40-/m1/s1
InChIKey: QOZZMIMTOTZWNP-YFZLBOPBSA-N
Reference
Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. pcc 7806.
PubChem CID: 163035260
LOTUS: LTS0195685
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 943.153
TPSA？: 299.43
MolLogP？: 5.083100000000012
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|