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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2O4.ClH
Molecular Weight 316.781
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (2S)-4-[(methoxycarbonyl)amino]-2-[(phenylmethyl)amino]butanoate hydrochloride

SMILES

Cl.COC(=O)NCC[C@H](NCC1=CC=CC=C1)C(=O)OC

InChI

InChIKey=GIBCTAMZXDLNOJ-YDALLXLXSA-N
InChI=1S/C14H20N2O4.ClH/c1-19-13(17)12(8-9-15-14(18)20-2)16-10-11-6-4-3-5-7-11;/h3-7,12,16H,8-10H2,1-2H3,(H,15,18);1H/t12-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C14H20N2O4
Molecular Weight 280.3196
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 19:47:39 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:39 GMT 2025
Record UNII
YA298WA6VY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (2S)-4-[(methoxycarbonyl)amino]-2-[(phenylmethyl)amino]butanoate hydrochloride
Systematic Name English
Butanoic acid, 4-[(methoxycarbonyl)amino]-2-[(phenylmethyl)amino]-, methyl ester, hydrochloride (1:1), (2S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
153320991
Created by admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025
PRIMARY
CAS
2230683-26-6
Created by admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025
PRIMARY
FDA UNII
YA298WA6VY
Created by admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE