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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20N2O6
Molecular Weight 324.3291
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-D-phenylalanine methyl ester

SMILES

COC(=O)[C@@H](CC1=CC=C(C=C1)[N+]([O-])=O)NC(=O)OC(C)(C)C

InChI

InChIKey=OIPSJKHEYTWZBQ-GFCCVEGCSA-N
InChI=1S/C15H20N2O6/c1-15(2,3)23-14(19)16-12(13(18)22-4)9-10-5-7-11(8-6-10)17(20)21/h5-8,12H,9H2,1-4H3,(H,16,19)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20N2O6
Molecular Weight 324.3291
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 Wed Apr 02 20:19:28 GMT 2025
Edited
by admin
on Wed Apr 02 20:19:28 GMT 2025
Record UNII
6CQR748KQS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-D-phenylalanine methyl ester
Systematic Name English
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, methyl ester
Preferred Name English
Methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoate
Systematic Name English
Code System Code Type Description
CAS
176794-96-0
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
FDA UNII
6CQR748KQS
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
PUBCHEM
15515970
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
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