Xentrivalpeptide I
AlkaPlorer ID: AK058624
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-[(2-phenylacetyl)amino]pentanamide
Structure
SMILES: CCC(C)[C@H](N=C(O)CC1=CC=CC=C1)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
InChI: InChI=1S/C47H67N7O9/c1-10-29(8)39(49-35(55)25-32-20-15-12-16-21-32)44(59)53-40-30(9)63-47(62)38(28(6)7)52-43(58)37(27(4)5)51-42(57)36(26(2)3)50-41(56)34-22-17-23-54(34)46(61)33(48-45(40)60)24-31-18-13-11-14-19-31/h11-16,18-21,26-30,33-34,36-40H,10,17,22-25H2,1-9H3,(H,48,60)(H,49,55)(H,50,56)(H,51,57)(H,52,58)(H,53,59)/t29?,30-,33-,34+,36+,37+,38+,39+,40+/m1/s1
InChIKey: WUAZBFIPYKXGNS-DKTBIUJPSA-N
Reference
Xentrivalpeptides A–Q: Depsipeptide Diversification in <i>Xenorhabdus</i>
PubChem CID: 139584570
LOTUS: LTS0118243
{NPAtlas: NPA005304
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 874.0930000000001
TPSA?: 242.14999999999995
MolLogP?: 7.372800000000007
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
