(E)-N-{2-hydroxy-1-[(E)-{[(E)-{1-[(E)-[(4E,7E,10E)-4,7,10-trihydroxy-9,12-bis[2-(C-hydroxycarbonimidoyl)ethyl]-6-[(1H-imidazol-2-yl)methyl]-13-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl]propyl}-11-methyldodecanimidic acid
AlkaPlorer ID: AK147616
Synonym: None
IUPAC Name: N-[(2S,3R)-1-[[2-[[(2S)-1-[[(3S,6S,9S,12S)-9,12-bis(3-amino-3-oxopropyl)-6-(1H-imidazol-2-ylmethyl)-4,7,10,13-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
Structure
SMILES: CC(C)CCCCCCCCCC(O)=N[C@H](C(O)=NCC(O)=N[C@@H](C)C(O)=N[C@H]1COCC(=O)[C@H](CCC(=N)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC2=NC=CN2)N=C1O)[C@@H](C)O
InChI: InChI=1S/C42H69N11O12/c1-24(2)12-10-8-6-5-7-9-11-13-35(58)53-37(26(4)54)42(64)47-21-36(59)48-25(3)38(60)52-30-22-65-23-31(55)27(14-16-32(43)56)49-39(61)28(15-17-33(44)57)50-40(62)29(51-41(30)63)20-34-45-18-19-46-34/h18-19,24-30,37,54H,5-17,20-23H2,1-4H3,(H2,43,56)(H2,44,57)(H,45,46)(H,47,64)(H,48,59)(H,49,61)(H,50,62)(H,51,63)(H,52,60)(H,53,58)/t25-,26+,27-,28-,29-,30-,37-/m0/s1
InChIKey: XFMZOMIXLZCGAO-VUICESKMSA-N
Reference
Kurstakins: A New Class of Lipopeptides Isolated from <i>Bacillus </i><i>t</i><i>huringiensis</i>
PubChem CID: 44558933
LOTUS: LTS0250411
NPASS: NPC473646
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus thuringiensis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 920.079
TPSA？: 391.50000000000006
MolLogP？: 5.657140000000008
Number of H-Donors: 13
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Stachybotrys chartarum | Stachybotrys chartarum | IZ | 10.0 | mm | 10.1021/np000169q |