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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13NO4
Molecular Weight 223.2252
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BENZYL ASPARTATE

SMILES

N[C@@H](CC(=O)OCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=VGALFAWDSNRXJK-VIFPVBQESA-N
InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H13NO4
Molecular Weight 223.2252
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 18:38:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:08 GMT 2023
Record UNII
ZJ9URQ9GF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-BENZYL ASPARTATE
Common Name English
(2S)-2-AMINO-4-OXO-4-PHENYLMETHOXYBUTANOIC ACID
Systematic Name English
NSC-524167
Code English
L-ASPARTIC ACID, 4-(PHENYLMETHYL) ESTER
Common Name English
4-BENZYL L-ASPARTATE
Common Name English
Code System Code Type Description
FDA UNII
ZJ9URQ9GF6
Created by admin on Sat Dec 16 18:38:08 GMT 2023 , Edited by admin on Sat Dec 16 18:38:08 GMT 2023
PRIMARY
PUBCHEM
101186
Created by admin on Sat Dec 16 18:38:08 GMT 2023 , Edited by admin on Sat Dec 16 18:38:08 GMT 2023
PRIMARY
CAS
2177-63-1
Created by admin on Sat Dec 16 18:38:08 GMT 2023 , Edited by admin on Sat Dec 16 18:38:08 GMT 2023
PRIMARY
NSC
524167
Created by admin on Sat Dec 16 18:38:08 GMT 2023 , Edited by admin on Sat Dec 16 18:38:08 GMT 2023
PRIMARY