N-ACETYL-S-(2-PHENYLETHYL)-L-CYSTEINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H17NO3S
Molecular Weight	267.344
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYL-S-(2-PHENYLETHYL)-L-CYSTEINE

Structure Search

SMILES

CC(=O)N[C@@H](CSCCC1=CC=CC=C1)C(O)=O

InChI

InChIKey=MLNGHQSNNCRFOE-LBPRGKRZSA-N

InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17)9-18-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,15)(H,16,17)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H17NO3S
Molecular Weight	267.344
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Simple method of methylation for gas chromatographic analysis of S-benzyl-N-acetylcysteine, a metabolite of toluene, in human urine.	2002-06-11	12054357

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:56:25 GMT 2025` Edited by `admin` on `Mon Mar 31 18:56:25 GMT 2025`
Record UNII	6A0Y254GPU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALANINE, N-ACETYL-3-(PHENETHYLTHIO)-, L-

Preferred Name

English

N-ACETYL-S-(2-PHENYLETHYL)-L-CYSTEINE

Systematic Name

English

N-ACETYL-S-PHENETHYL-L-CYSTEINE

Systematic Name

English

N-ACETYL-3-(PHENETHYLTHIO)-L-ALANINE

Systematic Name

English

L-CYSTEINE, N-ACETYL-S-(2-PHENYLETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

14510-11-3

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

PRIMARY

FDA UNII

6A0Y254GPU

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

PRIMARY

EPA CompTox

DTXSID40932497

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

PRIMARY

PUBCHEM

44152716

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

PRIMARY