164415-61-6
AlkaPlorer ID: AK062677
Synonym: None
IUPAC Name: methyl (2S,3S,4R,5E)-4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-5-(2-oxooctadecylidene)-2-pentadecylpyrrolidine-3-carboxylate
Structure
SMILES: CCCCCCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CCCCCCCCCCCCCCC)N1CCC1=CC=C(O)C=C1
InChI: InChI=1S/C47H81NO5/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-42(50)39-44-46(51)45(47(52)53-3)43(48(44)38-37-40-33-35-41(49)36-34-40)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33-36,39,43,45-46,49,51H,4-32,37-38H2,1-3H3/b44-39+/t43-,45-,46-/m0/s1
InChIKey: TWRZIDCNMWOSFX-SUJJJXMVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Plakinidae | Homosclerophorida | Homoscleromorpha | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 740.1669999999998
TPSA？: 87.07
MolLogP？: 12.574699999999982
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|