N-carbobenzoxy-L-phenylalanilol
AlkaPlorer ID: AK064604
Synonym: None
IUPAC Name: benzyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
Structure
SMILES: OC[C@H](CC1=CC=CC=C1)N=C(O)OCC1=CC=CC=C1
InChI: InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKey: WPOFMMJJCPZPAO-INIZCTEOSA-N
Reference
Nitrogen containing metabolites of fusarium sambucinum
PubChem CID: 853481
CAS: 6372-14-1
LOTUS: LTS0144942
SuperNatural Ⅲ: SN0416568-01
{NPAtlas: NPA004857
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium sambucinum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 285.343
TPSA？: 62.05000000000001
MolLogP？: 2.720800000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-chymotrypsin | IC50 | 3000000.0 | nM | 10.1016/j.bmcl.2003.11.058 |
| Homo sapiens | Beta-chymotrypsin | Inhibition | nan | % | 10.1016/j.bmcl.2003.11.058 |
| Mus musculus | Ehrlich | Activity | 1.3 | ml | 10.1021/jm00222a008 |
| Mus musculus | Ehrlich | Inhibition | 55.0 | % | 10.1021/jm00222a008 |
| Mus musculus | Ehrlich | Survival | nan | None | 10.1021/jm00222a008 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1007/s00044-009-9208-6 |
| Mus musculus | Mus musculus | ED50 | 33.5 | mg.kg-1 | 10.1007/s00044-009-9208-6 |