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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]-3-nitro-L-phenylalanine methyl ester

SMILES

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

InChI

InChIKey=JBYOYWWNOYQKJQ-LBPRGKRZSA-N
InChI=1S/C15H20N2O6/c1-15(2,3)23-14(19)16-12(13(18)22-4)9-10-6-5-7-11(8-10)17(20)21/h5-8,12H,9H2,1-4H3,(H,16,19)/t12-/m0/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 Sat Dec 16 20:22:18 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:18 GMT 2023
Record UNII
2X7S8TPU8Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[(1,1-Dimethylethoxy)carbonyl]-3-nitro-L-phenylalanine methyl ester
Systematic Name English
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-, methyl ester
Systematic Name English
{3-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]phenyl}azinic acid
Systematic Name English
Methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Systematic Name English
Code System Code Type Description
CAS
114346-36-0
Created by admin on Sat Dec 16 20:22:18 GMT 2023 , Edited by admin on Sat Dec 16 20:22:18 GMT 2023
PRIMARY
PUBCHEM
45102403
Created by admin on Sat Dec 16 20:22:18 GMT 2023 , Edited by admin on Sat Dec 16 20:22:18 GMT 2023
PRIMARY
FDA UNII
2X7S8TPU8Q
Created by admin on Sat Dec 16 20:22:18 GMT 2023 , Edited by admin on Sat Dec 16 20:22:18 GMT 2023
PRIMARY