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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14BrNO3S
Molecular Weight 284.171
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL N-ACETYL-S-(2-BROMOETHYL)-L-CYSTEINATE

SMILES

COC(=O)[C@H](CSCCBr)NC(C)=O

InChI

InChIKey=IWTQNTFCJNYJAZ-ZETCQYMHSA-N
InChI=1S/C8H14BrNO3S/c1-6(11)10-7(8(12)13-2)5-14-4-3-9/h7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
METHYL N-ACETYL-S-(2-BROMOETHYL)-L-CYSTEINATE
Systematic Name English
ALANINE, N-ACETYL-3-((2-BROMOETHYL)THIO)-, METHYL ESTER, L-
Preferred Name English
L-CYSTEINE, N-ACETYL-S-(2-BROMOETHYL)-, METHYL ESTER
Systematic Name English
ALANINE, N-ACETYL-3-((2-BROMOETHYL)THIO)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
9R48Z9NGVI
Created by admin on Mon Mar 31 22:11:26 GMT 2025 , Edited by admin on Mon Mar 31 22:11:26 GMT 2025
PRIMARY
PUBCHEM
23622876
Created by admin on Mon Mar 31 22:11:26 GMT 2025 , Edited by admin on Mon Mar 31 22:11:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID90998366
Created by admin on Mon Mar 31 22:11:26 GMT 2025 , Edited by admin on Mon Mar 31 22:11:26 GMT 2025
PRIMARY
CAS
77109-49-0
Created by admin on Mon Mar 31 22:11:26 GMT 2025 , Edited by admin on Mon Mar 31 22:11:26 GMT 2025
PRIMARY
NIH
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