Xentrivalpeptide C
AlkaPlorer ID: AK002813
Synonym: None
IUPAC Name: (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-7-methyl-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]-3-methyl-2-(propanoylamino)butanamide
Structure
SMILES: CCC(O)=N[C@H](C(O)=N[C@@H]1C(O)=N[C@H](CC2=CC=CC=C2)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/C41H63N7O9/c1-11-29(49)43-30(21(2)3)36(51)47-34-25(10)57-41(56)33(24(8)9)46-38(53)32(23(6)7)45-37(52)31(22(4)5)44-35(50)28-18-15-19-48(28)40(55)27(42-39(34)54)20-26-16-13-12-14-17-26/h12-14,16-17,21-25,27-28,30-34H,11,15,18-20H2,1-10H3,(H,42,54)(H,43,49)(H,44,50)(H,45,52)(H,46,53)(H,47,51)/t25-,27-,28+,30+,31+,32+,33+,34+/m1/s1
InChIKey: JIBJPLBMCAMJJA-FEICEOPKSA-N
Reference
Xentrivalpeptides A–Q: Depsipeptide Diversification in <i>Xenorhabdus</i>
PubChem CID: 71619627
LOTUS: LTS0249437
{NPAtlas: NPA000053
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 797.9950000000001
TPSA?: 242.14999999999995
MolLogP?: 6.150000000000008
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
