Xentrivalpeptide O
AlkaPlorer ID: AK019058
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]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
Structure
SMILES: CC[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)CC2=CC=CC=C2)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C45H63N7O9/c1-9-31-39(54)50-37(27(6)7)45(60)61-28(8)38(51-42(57)35(25(2)3)48-34(53)24-30-19-14-11-15-20-30)43(58)47-32(23-29-17-12-10-13-18-29)44(59)52-22-16-21-33(52)40(55)49-36(26(4)5)41(56)46-31/h10-15,17-20,25-28,31-33,35-38H,9,16,21-24H2,1-8H3,(H,46,56)(H,47,58)(H,48,53)(H,49,55)(H,50,54)(H,51,57)/t28-,31+,32-,33+,35+,36+,37+,38+/m1/s1
InChIKey: YFSBYLFQCDVKEG-JKZXPFHFSA-N
Reference
Xentrivalpeptides A–Q: Depsipeptide Diversification in <i>Xenorhabdus</i>
PubChem CID: 71620039
LOTUS: LTS0253955
{NPAtlas: NPA000584
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 846.039
TPSA？: 242.14999999999995
MolLogP？: 6.736700000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|