N-[3-(Methylthio)-2-propenoyl]-N'-(phenylacetyl)putrescine; (E)-form
AlkaPlorer ID: AK306376
Synonym: Aglaiathioduline, Leptagline
IUPAC Name: (E)-3-methylsulfanyl-N-[4-[(2-phenylacetyl)amino]butyl]prop-2-enamide
Structure
SMILES: CS/C=C/C(O)=NCCCCN=C(O)CC1=CC=CC=C1
InChI: InChI=1S/C16H22N2O2S/c1-21-12-9-15(19)17-10-5-6-11-18-16(20)13-14-7-3-2-4-8-14/h2-4,7-9,12H,5-6,10-11,13H2,1H3,(H,17,19)(H,18,20)/b12-9+
InChIKey: HHDWASZUEPJCND-FMIVXFBMSA-N
Reference
Infraspecific Variation of Sulfur-Containing Bisamides from <i>Aglaia</i> <i>leptantha</i>
PubChem CID: 10470425
CAS: 261158-69-4
LOTUS: LTS0110452
SuperNatural Ⅲ: SN0125480-01
NPASS: NPC140023
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia leptantha | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aglaia edulis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 306.4309999999999
TPSA？: 65.18
MolLogP？: 3.799000000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|