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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-(((2S,4S)-4-SULFANYLPYRROLIDINE-2-CARBONYL)AMINO)BENZOIC ACID

SMILES

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

InChI

InChIKey=ZLBHUAPMWZWODX-UWVGGRQHSA-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-/m0/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

PubMed

PubMed

TitleDatePubMed
Efficient one-pot synthesis of the 2-aminocarbonylpyrrolidin-4-ylthio-containing side chain of the new broad-spectrum carbapenem antibiotic ertapenem.
2002 Jul 12
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:11:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:11:59 GMT 2023
Record UNII
908TT08A2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((2S,4S)-4-SULFANYLPYRROLIDINE-2-CARBONYL)AMINO)BENZOIC ACID
Systematic Name English
Benzoic acid, 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80176419
Created by admin on Fri Dec 15 18:11:59 GMT 2023 , Edited by admin on Fri Dec 15 18:11:59 GMT 2023
PRIMARY
PUBCHEM
9795320
Created by admin on Fri Dec 15 18:11:59 GMT 2023 , Edited by admin on Fri Dec 15 18:11:59 GMT 2023
PRIMARY
FDA UNII
908TT08A2N
Created by admin on Fri Dec 15 18:11:59 GMT 2023 , Edited by admin on Fri Dec 15 18:11:59 GMT 2023
PRIMARY
CAS
219909-82-7
Created by admin on Fri Dec 15 18:11:59 GMT 2023 , Edited by admin on Fri Dec 15 18:11:59 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT