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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H10INO3S
Molecular Weight 327.139
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-IODOPENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2I)C(O)=O

InChI

InChIKey=XWDSFLSFDJZQTM-ALEPSDHESA-N
InChI=1S/C8H10INO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H10INO3S
Molecular Weight 327.139
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structural basis of the inhibition of class A beta-lactamases and penicillin-binding proteins by 6-beta-iodopenicillanate.
2009 Oct 28
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:00:30 GMT 2023
Edited
by admin
on Fri Dec 15 18:00:30 GMT 2023
Record UNII
DXM035IT0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-IODOPENICILLANIC ACID
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-IODO-3,3- DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Common Name English
Code System Code Type Description
PUBCHEM
121940
Created by admin on Fri Dec 15 18:00:30 GMT 2023 , Edited by admin on Fri Dec 15 18:00:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80996290
Created by admin on Fri Dec 15 18:00:30 GMT 2023 , Edited by admin on Fri Dec 15 18:00:30 GMT 2023
PRIMARY
CAS
74772-32-0
Created by admin on Fri Dec 15 18:00:30 GMT 2023 , Edited by admin on Fri Dec 15 18:00:30 GMT 2023
PRIMARY
FDA UNII
DXM035IT0F
Created by admin on Fri Dec 15 18:00:30 GMT 2023 , Edited by admin on Fri Dec 15 18:00:30 GMT 2023
PRIMARY