Xentrivalpeptide P
AlkaPlorer ID: AK058633
Synonym: None
IUPAC Name: (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-13-ethyl-7-methyl-2,5,9,12,15,18-hexaoxo-10,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-(butanoylamino)-3-methylbutanamide
Structure
SMILES: CCCC(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](CC)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
InChI: InChI=1S/C41H63N7O9/c1-10-16-30(49)44-31(22(3)4)38(53)47-34-25(9)57-41(56)33(24(7)8)46-35(50)27(11-2)42-37(52)32(23(5)6)45-36(51)29-19-15-20-48(29)40(55)28(43-39(34)54)21-26-17-13-12-14-18-26/h12-14,17-18,22-25,27-29,31-34H,10-11,15-16,19-21H2,1-9H3,(H,42,52)(H,43,54)(H,44,49)(H,45,51)(H,46,50)(H,47,53)/t25-,27+,28-,29+,31+,32+,33+,34+/m1/s1
InChIKey: GWDFNWGLIREUSJ-RZFJHHCXSA-N
Reference
Xentrivalpeptides A–Q: Depsipeptide Diversification in <i>Xenorhabdus</i>
PubChem CID: 71620128
LOTUS: LTS0012594
{NPAtlas: NPA005613
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 797.995
TPSA？: 242.14999999999995
MolLogP？: 6.294100000000007
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|