UNPD58869
AlkaPlorer ID: AK340376
Synonym: None
IUPAC Name: (8S)-1,13-bis(2-methylbutanoyl)-8-[(Z)-undec-2-enyl]-1,5,9,13-tetrazacyclooctadecan-6-one
Structure
SMILES: CCCCCCCC/C=C\C[C@H]1CC(O)=NCCCN(C(=O)C(C)CC)CCCCCN(C(=O)C(C)CC)CCCN1
InChI: InChI=1S/C35H66N4O3/c1-6-9-10-11-12-13-14-15-17-22-32-29-33(40)37-24-21-28-39(35(42)31(5)8-3)26-19-16-18-25-38(27-20-23-36-32)34(41)30(4)7-2/h15,17,30-32,36H,6-14,16,18-29H2,1-5H3,(H,37,40)/b17-15-/t30?,31?,32-/m0/s1
InChIKey: BBWSMYSNDAJELT-JVVZTDLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aulacocephalus temminckii | Aulacocephalus | Serranidae | Perciformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 590.9380000000001
TPSA？: 85.24000000000001
MolLogP？: 7.701600000000009
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|