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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO4S
Molecular Weight 381.529
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-N-ACETYLCYSTEINE

SMILES

CC(=O)N[C@@H](CSCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)C(O)=O

InChI

InChIKey=BNZWWVAOVCRSIZ-INIZCTEOSA-N
InChI=1S/C20H31NO4S/c1-12(22)21-16(18(24)25)11-26-10-13-8-14(19(2,3)4)17(23)15(9-13)20(5,6)7/h8-9,16,23H,10-11H2,1-7H3,(H,21,22)(H,24,25)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H31NO4S
Molecular Weight 381.529
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 Sat Dec 16 10:29:50 GMT 2023
Edited
by admin
on Sat Dec 16 10:29:50 GMT 2023
Record UNII
P3N7601R5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)-N-ACETYLCYSTEINE
Systematic Name English
ALANINE, N-ACETYL-3-((3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)THIO)-, L-
Systematic Name English
L-CYSTEINE, N-ACETYL-S-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
53692197
Created by admin on Sat Dec 16 10:29:50 GMT 2023 , Edited by admin on Sat Dec 16 10:29:50 GMT 2023
PRIMARY
CAS
16758-24-0
Created by admin on Sat Dec 16 10:29:50 GMT 2023 , Edited by admin on Sat Dec 16 10:29:50 GMT 2023
PRIMARY
FDA UNII
P3N7601R5P
Created by admin on Sat Dec 16 10:29:50 GMT 2023 , Edited by admin on Sat Dec 16 10:29:50 GMT 2023
PRIMARY