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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N2O8
Molecular Weight 458.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(P-METHOXYBENZYLOXYCARBONYL)ASPARTAME

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)OCC2=CC=C(OC)C=C2

InChI

InChIKey=YMJGZWXROKTMQG-OALUTQOASA-N
InChI=1S/C23H26N2O8/c1-31-17-10-8-16(9-11-17)14-33-23(30)25-18(13-20(26)27)21(28)24-19(22(29)32-2)12-15-6-4-3-5-7-15/h3-11,18-19H,12-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,27)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26N2O8
Molecular Weight 458.4611
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:28:24 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:24 GMT 2023
Record UNII
9MSF2XU9JN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(P-METHOXYBENZYLOXYCARBONYL)ASPARTAME
Systematic Name English
L-PHENYLALANINE, N-(N-(((4-METHOXYPHENYL)METHOXY)CARBONYL)-L-.ALPHA.-ASPARTYL)-, 1-METHYL ESTER
Systematic Name English
N-(P-METHOXYBENZYLOXYCARBONYL)ASPARTYLPHENYLALANINE METHYL ESTER
Systematic Name English
L-PHENYLALANINE, N-(((4-METHOXYPHENYL)METHOXY)CARBONYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
12899039
Created by admin on Sat Dec 16 14:28:24 GMT 2023 , Edited by admin on Sat Dec 16 14:28:24 GMT 2023
PRIMARY
FDA UNII
9MSF2XU9JN
Created by admin on Sat Dec 16 14:28:24 GMT 2023 , Edited by admin on Sat Dec 16 14:28:24 GMT 2023
PRIMARY
CAS
68802-03-9
Created by admin on Sat Dec 16 14:28:24 GMT 2023 , Edited by admin on Sat Dec 16 14:28:24 GMT 2023
PRIMARY