1-{N-[(3E,6E,18E,21E)-24-{N-[2-(acetyloxy)-3-acetamidopropyl]acetamido}tetracosa-3,6,18,21-tetraen-1-yl]acetamido}-3-acetamidopropan-2-yl acetate
AlkaPlorer ID: AK264974
Synonym: None
IUPAC Name: [1-acetamido-3-[24-[(3-acetamido-2-acetyloxypropyl)-acetylamino]tetracosa-3,6,18,21-tetraenyl-acetylamino]propan-2-yl] acetate
Structure
SMILES: CC(=O)OC(CN=C(C)O)CN(CCC=CCC=CCCCCCCCCCCC=CCC=CCCN(CC(CN=C(C)O)OC(C)=O)C(C)=O)C(C)=O
InChI: InChI=1S/C42H70N4O8/c1-35(47)43-31-41(53-39(5)51)33-45(37(3)49)29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-46(38(4)50)34-42(54-40(6)52)32-44-36(2)48/h17-20,23-26,41-42H,7-16,21-22,27-34H2,1-6H3,(H,43,47)(H,44,48)
InChIKey: TXTNCSFFVMSTOU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathrina coriacea | Clathrina | Clathrinidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 759.0420000000003
TPSA？: 158.4
MolLogP？: 8.18580000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|