tert-Butyl ((1R,2R)-1-hydroxy-6-(4-nitrophenyl)-1-phenylhex-5-yn-2-yl)carbamate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26N2O5
Molecular Weight	410.4629
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl ((1R,2R)-1-hydroxy-6-(4-nitrophenyl)-1-phenylhex-5-yn-2-yl)carbamate

Structure Search

SMILES

CC(C)(C)OC(=O)N[C@H](CCC#CC1=CC=C(C=C1)[N+]([O-])=O)[C@H](O)C2=CC=CC=C2

InChI

InChIKey=KUQQIHOJKOATTC-NHCUHLMSSA-N

InChI=1S/C23H26N2O5/c1-23(2,3)30-22(27)24-20(21(26)18-10-5-4-6-11-18)12-8-7-9-17-13-15-19(16-14-17)25(28)29/h4-6,10-11,13-16,20-21,26H,8,12H2,1-3H3,(H,24,27)/t20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H26N2O5
Molecular Weight	410.4629
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 19:52:47 GMT 2025` Edited by `admin` on `Wed Apr 02 19:52:47 GMT 2025`
Record UNII	GGT64LY2AU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl N-[(1R)-1-[(R)-hydroxyphenylmethyl]-5-(4-nitrophenyl)-4-pentyn-1-yl]carbamate

Preferred Name

English

tert-Butyl ((1R,2R)-1-hydroxy-6-(4-nitrophenyl)-1-phenylhex-5-yn-2-yl)carbamate

Systematic Name

English

Carbamic acid, N-[(1R)-1-[(R)-hydroxyphenylmethyl]-5-(4-nitrophenyl)-4-pentyn-1-yl]-, 1,1-dimethylethyl ester

Systematic Name

English

Code System Code Type Description

CAS

1628836-10-1

Created by admin on Wed Apr 02 19:52:47 GMT 2025 , Edited by admin on Wed Apr 02 19:52:47 GMT 2025

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FDA UNII

GGT64LY2AU

Created by admin on Wed Apr 02 19:52:47 GMT 2025 , Edited by admin on Wed Apr 02 19:52:47 GMT 2025

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PUBCHEM

122387701

Created by admin on Wed Apr 02 19:52:47 GMT 2025 , Edited by admin on Wed Apr 02 19:52:47 GMT 2025

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