Xentrivalpeptide K
AlkaPlorer ID: AK054182
Synonym: None
IUPAC Name: (2S)-3-methyl-2-(3-methylbutanoylamino)-N-[(3R,6S,7R,10S,13S,16S,19S)-7-methyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10,13,16-tri(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]butanamide
Structure
SMILES: CC(C)CC(O)=N[C@H](C(O)=N[C@@H]1C(O)=N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
InChI: InChI=1S/C40H69N7O9/c1-19(2)17-26-39(54)47-16-14-15-27(47)34(49)43-30(22(7)8)36(51)44-31(23(9)10)37(52)45-32(24(11)12)40(55)56-25(13)33(38(53)41-26)46-35(50)29(21(5)6)42-28(48)18-20(3)4/h19-27,29-33H,14-18H2,1-13H3,(H,41,53)(H,42,48)(H,43,49)(H,44,51)(H,45,52)(H,46,50)/t25-,26-,27+,29+,30+,31+,32+,33+/m1/s1
InChIKey: DXXIHWNZUSUGGO-YIAFOGTESA-N
Reference
Xentrivalpeptides A–Q: Depsipeptide Diversification in <i>Xenorhabdus</i>
PubChem CID: 71619936
LOTUS: LTS0210694
{NPAtlas: NPA003623
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 792.0320000000002
TPSA？: 242.14999999999995
MolLogP？: 6.58950000000001
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|