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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18N2O4.ClH
Molecular Weight 254.711
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@H](CN)NC(=O)OC(C)(C)C

InChI

InChIKey=IKRXWXBVGWAKNK-RGMNGODLSA-N
InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C9H18N2O4
Molecular Weight 218.2502
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 18:08:45 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:45 GMT 2023
Record UNII
YA59RGK6XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-ALANINE METHYL ESTER HYDROCHLORIDE
Systematic Name English
BOC-DAP-OME HYDROCHLORIDE
Common Name English
L-ALANINE, 3-AMINO-N-((1,1-DIMETHYLETHOXY)CARBONYL)-, METHYL ESTER MONOHYDROCHLORIDE
Systematic Name English
(S)-METHYL 3-AMINO-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
181228-33-1
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID60856186
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
PUBCHEM
71607207
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
FDA UNII
YA59RGK6XG
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE