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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23NO3
Molecular Weight 289.3694
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-butyl N-[(1R,2S)-1-hydroxy-1-phenylhex-5-yn-2-yl]carbamate

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC#C)[C@H](O)C1=CC=CC=C1

InChI

InChIKey=GNBAHXDALHEPGP-LSDHHAIUSA-N
InChI=1S/C17H23NO3/c1-5-6-12-14(18-16(20)21-17(2,3)4)15(19)13-10-8-7-9-11-13/h1,7-11,14-15,19H,6,12H2,2-4H3,(H,18,20)/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H23NO3
Molecular Weight 289.3694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:39:39 GMT 2025
Edited
by admin
on Wed Apr 02 20:39:39 GMT 2025
Record UNII
M8AXA7WS8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl N-[(1S)-1-[(R)-hydroxyphenylmethyl]-4-pentyn-1-yl]carbamate
Preferred Name English
tert-butyl N-[(1R,2S)-1-hydroxy-1-phenylhex-5-yn-2-yl]carbamate
Systematic Name English
Carbamic acid, N-[(1S)-1-[(R)-hydroxyphenylmethyl]-4-pentyn-1-yl]-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
71572815
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
PRIMARY
FDA UNII
M8AXA7WS8E
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
PRIMARY
CAS
1437235-58-9
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
PRIMARY
Related Record Type Details
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