tert-Butyl (1-oxo-1-phenylhex-5-yn-2-yl)carbamate, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO3
Molecular Weight	287.3535
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl (1-oxo-1-phenylhex-5-yn-2-yl)carbamate, (S)-

Structure Search

SMILES

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

InChI

InChIKey=YGQXSSDTHMMMPH-AWEZNQCLSA-N

InChI=1S/C17H21NO3/c1-5-6-12-14(18-16(20)21-17(2,3)4)15(19)13-10-8-7-9-11-13/h1,7-11,14H,6,12H2,2-4H3,(H,18,20)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO3
Molecular Weight	287.3535
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 `Wed Apr 02 19:55:20 GMT 2025` Edited by `admin` on `Wed Apr 02 19:55:20 GMT 2025`
Record UNII	82J6QB8TCD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl (1-oxo-1-phenylhex-5-yn-2-yl)carbamate, (S)-

Systematic Name

English

(S)-tert-Butyl (1-oxo-1-phenylhex-5-yn-2-yl)carbamate

Preferred Name

English

Carbamic acid, N-[(1S)-1-benzoyl-4-pentyn-1-yl]-, 1,1-dimethylethyl ester

Systematic Name

English

1,1-Dimethylethyl N-[(1S)-1-benzoyl-4-pentyn-1-yl]carbamate

Systematic Name

English

Code System Code Type Description

CAS

1538628-99-7

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

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FDA UNII

82J6QB8TCD

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

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PUBCHEM

89584545

Created by admin on Wed Apr 02 19:55:20 GMT 2025 , Edited by admin on Wed Apr 02 19:55:20 GMT 2025

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