U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14N2O5S
Molecular Weight 262.283
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLOIC ACID

SMILES

[H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC=O)C(O)=O

InChI

InChIKey=OPEGYZAATHKDEM-HCWXCVPCSA-N
InChI=1S/C9H14N2O5S/c1-9(2)5(8(15)16)11-6(17-9)4(7(13)14)10-3-12/h3-6,11H,1-2H3,(H,10,12)(H,13,14)(H,15,16)/t4-,5-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H14N2O5S
Molecular Weight 262.283
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:46:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:46:28 GMT 2023
Record UNII
3A8ULT6HAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLOIC ACID
Common Name English
(2R,4S)-2-((R)-CARBOXY(FORMAMIDO)METHYL)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Systematic Name English
2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-.ALPHA.-(FORMYLAMINO)-5,5-DIMETHYL-, (2R-(2.ALPHA.(R*),4.BETA.))-
Common Name English
BB-517
Common Name English
PAB-142
Code English
142/3T
Code English
2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-.ALPHA.-(FORMYLAMINO)-5,5-DIMETHYL-, (.ALPHA.R,2R,4S)-
Common Name English
Code System Code Type Description
PUBCHEM
98994
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID60911623
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
PUBCHEM
52921568
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
FDA UNII
3A8ULT6HAQ
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
WIKIPEDIA
Penicilloic_acid
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
CAS
11039-68-2
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
64527-07-7
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE