1-[N-(22-{N-[2-(acetyloxy)-3-acetamidopropyl]acetamido}docosyl)acetamido]-3-acetamidopropan-2-yl acetate
AlkaPlorer ID: AK189385
Synonym: None
IUPAC Name: [1-acetamido-3-[22-[(3-acetamido-2-acetyloxypropyl)-acetylamino]docosyl-acetylamino]propan-2-yl] acetate
Structure
SMILES: CC(=O)OC(CN=C(C)O)CN(CCCCCCCCCCCCCCCCCCCCCCN(CC(CN=C(C)O)OC(C)=O)C(C)=O)C(C)=O
InChI: InChI=1S/C40H74N4O8/c1-33(45)41-29-39(51-37(5)49)31-43(35(3)47)27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-44(36(4)48)32-40(52-38(6)50)30-42-34(2)46/h39-40H,7-32H2,1-6H3,(H,41,45)(H,42,46)
InChIKey: KVMQSVWDAJBGML-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathrina coriacea | Clathrina | Clathrinidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 739.0520000000005
TPSA？: 158.4
MolLogP？: 8.301600000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|