SNAC
AlkaPlorer ID: AK101226
Synonym: None
IUPAC Name: S-(2-acetamidoethyl) (2E,7S,8E)-7,11-dihydroxydodeca-2,8-dienethioate
Structure
SMILES: CC(=O)NCCSC(=O)/C=C/CCC[C@H](O)/C=C/CC(C)O
InChI: InChI=1S/C16H27NO4S/c1-13(18)7-6-9-15(20)8-4-3-5-10-16(21)22-12-11-17-14(2)19/h5-6,9-10,13,15,18,20H,3-4,7-8,11-12H2,1-2H3,(H,17,19)/b9-6+,10-5+/t13?,15-/m0/s1
InChIKey: WWHBTBOQYHCJSL-IOCNHGJHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Alex | Geometridae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 329.46200000000005
TPSA？: 86.63000000000001
MolLogP？: 1.7967999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|