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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO5
Molecular Weight 325.4
Optical Activity ( + )
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid

SMILES

CC(C)(C)OC(=O)N[C@H](C(O)=O)C12CC3CC(CC(O)(C3)C1)C2

InChI

InChIKey=UKCKDSNFBFHSHC-ZEJPWUNMSA-N
InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H27NO5
Molecular Weight 325.4
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:05:20 GMT 2025
Edited
by admin
on Wed Apr 02 21:05:20 GMT 2025
Record UNII
TB6M453LHA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<SUP>3,7</SUP>-]decan-1-yl)ethanoic acid
Preferred Name English
(2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid
Systematic Name English
(?S)-?-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<SUP>3,7</SUP>-]decane-1-acetic acid
Systematic Name English
Code System Code Type Description
FDA UNII
TB6M453LHA
Created by admin on Wed Apr 02 21:05:20 GMT 2025 , Edited by admin on Wed Apr 02 21:05:20 GMT 2025
PRIMARY
CAS
361442-00-4
Created by admin on Wed Apr 02 21:05:20 GMT 2025 , Edited by admin on Wed Apr 02 21:05:20 GMT 2025
PRIMARY
PUBCHEM
11723843
Created by admin on Wed Apr 02 21:05:20 GMT 2025 , Edited by admin on Wed Apr 02 21:05:20 GMT 2025
PRIMARY
Related Record Type Details
INGREDIENT -> INTERMEDIATE