Aurantiamide; L-D-Diastereomer, Ac
AlkaPlorer ID: AK289722
Synonym: Diaaurantiamide acetate
IUPAC Name: [2-[(2-benzamido-3-phenylpropanoyl)amino]-3-phenylpropyl] acetate
Structure
SMILES: CC(=O)OCC(CC1=CC=CC=C1)N=C(O)C(CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1
InChI: InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)
InChIKey: VZPAURMDJZOGHU-UHFFFAOYSA-N
Reference
Heliangolides from Viguiera sylvatica
PubChem CID: 9832120
CAS: 56121-42-7
LOTUS: LTS0156307
NPASS: NPC171139
COCONUT: CNP0167652.8
Source
Properties Information
Molecule Weight: 444.5310000000001
TPSA？: 91.48
MolLogP？: 4.733400000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | None | None | 10.1016/j.ejmech.2007.12.018 |
| Rattus norvegicus | Blood | Activity | None | None | 10.1016/j.ejmech.2007.12.018 |