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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N2O3S
Molecular Weight 266.316
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[[(2R,4R)-4-Mercapto-2-pyrrolidinyl]carbonyl]amino]benzoic acid

SMILES

OC(=O)C1=CC=CC(NC(=O)[C@H]2C[C@@H](S)CN2)=C1

InChI

InChIKey=ZLBHUAPMWZWODX-NXEZZACHSA-N
InChI=1S/C12H14N2O3S/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17)/t9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H14N2O3S
Molecular Weight 266.316
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 Sat Dec 16 19:49:02 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:02 GMT 2023
Record UNII
YLP2YTR9PQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[[(2R,4R)-4-Mercapto-2-pyrrolidinyl]carbonyl]amino]benzoic acid
Systematic Name English
Benzoic acid, 3-[[[(2R,4R)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
YLP2YTR9PQ
Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023
PRIMARY
CAS
791582-43-9
Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023
PRIMARY
PUBCHEM
124436466
Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023
PRIMARY