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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O6
Molecular Weight 412.4358
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL N-(N-(PHENYLACETYL)-L-ALPHA-ASPARTYL) L- PHENYLALANINE

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CC2=CC=CC=C2

InChI

InChIKey=OZNONYNDBLHCLF-ROUUACIJSA-N
InChI=1S/C22H24N2O6/c1-30-22(29)18(12-15-8-4-2-5-9-15)24-21(28)17(14-20(26)27)23-19(25)13-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t17-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-METHYL N-(N-(PHENYLACETYL)-L-ALPHA-ASPARTYL) L- PHENYLALANINE
Systematic Name English
L-PHENYLALANINE, N-(N-(PHENYLACETYL)-L-.ALPHA.-ASPARTYL)-, 1-METHYL ESTER
Preferred Name English
L-PHENYLALANINE, N-(PHENYLACETYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
101623-22-7
Created by admin on Tue Apr 01 18:44:10 GMT 2025 , Edited by admin on Tue Apr 01 18:44:10 GMT 2025
PRIMARY
PUBCHEM
13958185
Created by admin on Tue Apr 01 18:44:10 GMT 2025 , Edited by admin on Tue Apr 01 18:44:10 GMT 2025
PRIMARY
FDA UNII
ZTE40VX8CM
Created by admin on Tue Apr 01 18:44:10 GMT 2025 , Edited by admin on Tue Apr 01 18:44:10 GMT 2025
PRIMARY