Bk-1229
AlkaPlorer ID: AK071503
Synonym: None
IUPAC Name: (2S)-2-[(3S,6S,9S,15R,21R)-9,15-bis(2-amino-2-oxoethyl)-25-[2,3-dihydroxy-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide
Structure
SMILES: CCCCCCCCCCCC(O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)C(O)C(O)CC1CC(O)=N[C@H](CO)C(O)=NC(C(O)C2=CC=C(O)C=C2)C(O)=N[C@H](CC(=N)O)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@@H]([C@H](O)C(=N)O)C(O)=N1
InChI: InChI=1S/C52H83N11O23/c1-2-3-4-5-6-7-8-9-10-11-33(86-52-44(77)42(75)32(68)23-85-52)41(74)31(67)16-25-17-36(71)59-29(21-64)48(81)62-38(40(73)24-12-14-26(66)15-13-24)51(84)60-27(18-34(53)69)46(79)56-20-37(72)58-28(19-35(54)70)47(80)61-30(22-65)49(82)63-39(50(83)57-25)43(76)45(55)78/h12-15,25,27-33,38-44,52,64-68,73-77H,2-11,16-23H2,1H3,(H2,53,69)(H2,54,70)(H2,55,78)(H,56,79)(H,57,83)(H,58,72)(H,59,71)(H,60,84)(H,61,80)(H,62,81)(H,63,82)/t25?,27-,28+,29-,30+,31?,32+,33?,38?,39+,40?,41?,42-,43+,44+,52-/m1/s1
InChIKey: WATGQJRVYCRUDS-TWEVVRIGSA-N
Reference
Burkholdines 1097 and 1229, Potent Antifungal Peptides from <i>Burkholderia ambifaria</i> 2.2N
PubChem CID: 45104962
LOTUS: LTS0005388
{NPAtlas: NPA018348
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia ambifaria | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1230.2900000000006
TPSA？: 613.7200000000003
MolLogP？: 0.6500100000000177
Number of H-Donors: 24
Number of H-Acceptors: 23
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|