U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25NO3
Molecular Weight 291.3853
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Caprylylphenylalanine, D-

SMILES

CCCCCCCC(=O)N[C@H](CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=XNWZOFXSPQXPRE-OAHLLOKOSA-N
InChI=1S/C17H25NO3/c1-2-3-4-5-9-12-16(19)18-15(17(20)21)13-14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,18,19)(H,20,21)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H25NO3
Molecular Weight 291.3853
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:20 GMT 2023
Record UNII
FN9CFM2ZAZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Caprylylphenylalanine, D-
Common Name English
(2R)-2-Octanamido-3-phenylpropanoic acid
Systematic Name English
N-(1-Oxooctyl)-D-phenylalanine
Common Name English
D-Phenylalanine, N-(1-oxooctyl)-
Common Name English
N-Caprylyl-D-phenylalanine
Common Name English
Code System Code Type Description
PUBCHEM
102418444
Created by admin on Sat Dec 16 19:53:20 GMT 2023 , Edited by admin on Sat Dec 16 19:53:20 GMT 2023
PRIMARY
FDA UNII
FN9CFM2ZAZ
Created by admin on Sat Dec 16 19:53:20 GMT 2023 , Edited by admin on Sat Dec 16 19:53:20 GMT 2023
PRIMARY
CAS
1248347-72-9
Created by admin on Sat Dec 16 19:53:20 GMT 2023 , Edited by admin on Sat Dec 16 19:53:20 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER