Phenylalanine; (S)-form, N-Benzoyl, Me ester
AlkaPlorer ID: AK309990
Synonym: None
IUPAC Name: methyl 2-benzamido-3-phenylpropanoate
Structure
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1
InChI: InChI=1S/C17H17NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,19)
InChIKey: BRQQPHKRRCUYLA-UHFFFAOYSA-N
Reference
A new cyclopeptide metabolite of marine gut fungus from <i>Ligia oceanica</i>
PubChem CID: 569674
CAS: 74923-17-4
COCONUT: CNP0352811.2
{NPAtlas: NPA029856
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brassaiopsis glomerulata | Brassaiopsis | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ligia | Ligiidae | Isopoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 283.327
TPSA？: 55.4
MolLogP？: 2.2007000000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | LogP | -0.13 | None | 10.1021/jm00021a014 |