N-Benzoyl-L-phenyalaninol

AlkaPlorer ID: AK039899

Synonym: None

IUPAC Name: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

Structure

SMILES: OC[C@H](CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1

copy

InChI: InChI=1S/C16H17NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1

copy

InChIKey: RFYNAVYPYXLVOM-HNNXBMFYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus flavipes Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 255.317

TPSA: 52.82000000000001

MolLogP: 2.594800000000001

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Neurokinin 1 receptor Activity None None 10.1021/np50106a005

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020056 N[C@@H](Cc1ccccc1)C(=O)O.O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1.O=C(O)c1ccccc1>>O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1 61908
AKRT020079 N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)c1ccccc1>>O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1 59476