Benzyl 2-((tert-butoxycarbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoate, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27NO6S
Molecular Weight	433.518
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzyl 2-((tert-butoxycarbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoate, (S)-

Structure Search

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC(=C1)S(C)(=O)=O)C(=O)OCC2=CC=CC=C2

InChI

InChIKey=PHBQFYLTLBWTNF-IBGZPJMESA-N

InChI=1S/C22H27NO6S/c1-22(2,3)29-21(25)23-19(20(24)28-15-16-9-6-5-7-10-16)14-17-11-8-12-18(13-17)30(4,26)27/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H27NO6S
Molecular Weight	433.518
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 15:39:15 GMT 2025` Edited by `admin` on `Wed Apr 02 15:39:15 GMT 2025`
Record UNII	LK25R79VGU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoate

Preferred Name

English

Benzyl 2-((tert-butoxycarbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoate, (S)-

Systematic Name

English

L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(methylsulfonyl)-, phenylmethyl ester

Systematic Name

English

N-[(1,1-Dimethylethoxy)carbonyl]-3-(methylsulfonyl)-L-phenylalanine phenylmethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

57992282

Created by admin on Wed Apr 02 15:39:15 GMT 2025 , Edited by admin on Wed Apr 02 15:39:15 GMT 2025

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FDA UNII

LK25R79VGU

Created by admin on Wed Apr 02 15:39:15 GMT 2025 , Edited by admin on Wed Apr 02 15:39:15 GMT 2025

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CAS

1289646-78-1

Created by admin on Wed Apr 02 15:39:15 GMT 2025 , Edited by admin on Wed Apr 02 15:39:15 GMT 2025

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