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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16N2O4.ClH
Molecular Weight 288.727
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-N-((PHENYLMETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@H](CN)NC(=O)OCC1=CC=CC=C1

InChI

InChIKey=OLOFLUKZNNTGBC-PPHPATTJSA-N
InChI=1S/C12H16N2O4.ClH/c1-17-11(15)10(7-13)14-12(16)18-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C12H16N2O4
Molecular Weight 252.2664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:15:27 GMT 2025
Edited
by admin
on Wed Apr 02 10:15:27 GMT 2025
Record UNII
2NKW3MQF65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-METHOXY-3-OXOPROPAN-1-AMINIUM CHLORIDE
Preferred Name English
3-AMINO-N-((PHENYLMETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE
Systematic Name English
L-ALANINE, 3-AMINO-N-((PHENYLMETHOXY)CARBONYL)-, METHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
L-ALANINE, 3-AMINO-N-((PHENYLMETHOXY)CARBONYL)-, METHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
35761-27-4
Created by admin on Wed Apr 02 10:15:27 GMT 2025 , Edited by admin on Wed Apr 02 10:15:27 GMT 2025
PRIMARY
PUBCHEM
11346770
Created by admin on Wed Apr 02 10:15:27 GMT 2025 , Edited by admin on Wed Apr 02 10:15:27 GMT 2025
PRIMARY
FDA UNII
2NKW3MQF65
Created by admin on Wed Apr 02 10:15:27 GMT 2025 , Edited by admin on Wed Apr 02 10:15:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID70548520
Created by admin on Wed Apr 02 10:15:27 GMT 2025 , Edited by admin on Wed Apr 02 10:15:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE