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Details

Stereochemistry MIXED
Molecular Formula C18H25NO5
Molecular Weight 335.3948
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(tert-butoxycarbonylamino)-5-oxo-4-phenylhexanoate

SMILES

COC(=O)C(CC(C(C)=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChIKey=HZWUZADHRLPSSP-UHFFFAOYSA-N
InChI=1S/C18H25NO5/c1-12(20)14(13-9-7-6-8-10-13)11-15(16(21)23-5)19-17(22)24-18(2,3)4/h6-10,14-15H,11H2,1-5H3,(H,19,22)

HIDE SMILES / InChI

Molecular Formula C18H25NO5
Molecular Weight 335.3948
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:17:10 GMT 2025
Edited
by admin
on Wed Apr 02 20:17:10 GMT 2025
Record UNII
4CK3AQ7DTG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenebutanoic acid, ?-acetyl-?-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
Preferred Name English
Methyl 2-(tert-butoxycarbonylamino)-5-oxo-4-phenylhexanoate
Systematic Name English
Methyl ?-acetyl-?-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoate
Systematic Name English
Code System Code Type Description
CAS
2568607-13-4
Created by admin on Wed Apr 02 20:17:10 GMT 2025 , Edited by admin on Wed Apr 02 20:17:10 GMT 2025
PRIMARY
PUBCHEM
123490286
Created by admin on Wed Apr 02 20:17:10 GMT 2025 , Edited by admin on Wed Apr 02 20:17:10 GMT 2025
PRIMARY
FDA UNII
4CK3AQ7DTG
Created by admin on Wed Apr 02 20:17:10 GMT 2025 , Edited by admin on Wed Apr 02 20:17:10 GMT 2025
PRIMARY