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Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO4
Molecular Weight 251.2784
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-CARBOBENZOYL-DL-VALINE

SMILES

CC(C)C(NC(=O)OCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=CANZBRDGRHNSGZ-UHFFFAOYSA-N
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H17NO4
Molecular Weight 251.2784
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:24 GMT 2023
Record UNII
C9J545UFF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-CARBOBENZOYL-DL-VALINE
Common Name English
DL-CBZ-VALINE
Common Name English
NSC-33501
Code English
VALINE, N-((PHENYLMETHOXY)CARBONYL)-
Systematic Name English
VALINE, N-CARBOXY-, N-BENZYL ESTER, DL-
Systematic Name English
Code System Code Type Description
FDA UNII
C9J545UFF6
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
PUBCHEM
97743
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
CAS
3588-63-4
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-727-4
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID60862565
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
NSC
33501
Created by admin on Sat Dec 16 12:43:24 GMT 2023 , Edited by admin on Sat Dec 16 12:43:24 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE