Cyanopeptolin A
AlkaPlorer ID: AK014112
Synonym: '', 'Cyanopeptolin A'
IUPAC Name: (3R)-4-[[(2S,5S,8R,11R,12S,15S,18S,21S)-5-benzyl-15-[3-(diaminomethylideneamino)propyl]-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](CCCNC(=N)N)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/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49)/t27-,29+,30+,31-,32+,33+,35+,37-,38+/m1/s1
InChIKey: XKZZUWLVOGBTLH-CLMGXRQHSA-N
Reference
Cyanopeptolins, new depsipeptides from the cyanobacterium Microcystis sp. pcc 7806.
PubChem CID: 162946334
LOTUS: LTS0189749
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 957.14
TPSA？: 349.30000000000007
MolLogP？: 3.956670000000012
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|