Bk-1097
AlkaPlorer ID: AK071514
Synonym: None
IUPAC Name: (2S)-2-[(3S,6S,9S,15R,21R)-9,15-bis(2-amino-2-oxoethyl)-18-[hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-25-(2,3,4-trihydroxypentadecyl)-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide
Structure
SMILES: CCCCCCCCCCCC(O)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/C47H75N11O19/c1-2-3-4-5-6-7-8-9-10-11-30(62)39(69)31(63)16-24-17-34(66)54-28(21-59)44(74)57-36(38(68)23-12-14-25(61)15-13-23)47(77)55-26(18-32(48)64)42(72)51-20-35(67)53-27(19-33(49)65)43(73)56-29(22-60)45(75)58-37(46(76)52-24)40(70)41(50)71/h12-15,24,26-31,36-40,59-63,68-70H,2-11,16-22H2,1H3,(H2,48,64)(H2,49,65)(H2,50,71)(H,51,72)(H,52,76)(H,53,67)(H,54,66)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t24?,26-,27+,28-,29+,30?,31?,36?,37+,38?,39?,40+/m1/s1
InChIKey: HNWUONUNQVXJAB-YMKCGPMBSA-N
Reference
Burkholdines 1097 and 1229, Potent Antifungal Peptides from <i>Burkholderia ambifaria</i> 2.2N
PubChem CID: 45105061
LOTUS: LTS0018865
{NPAtlas: NPA014535
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia ambifaria | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1098.1750000000002
TPSA？: 554.8000000000002
MolLogP？: 2.186710000000009
Number of H-Donors: 22
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|