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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18N4O4S
Molecular Weight 398.436
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-PHENYLPYRAZINYL)PENICILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=NC=CN=C3C4=CC=CC=C4)C(O)=O

InChI

InChIKey=LGGUNFWQXWKRMC-JKIFEVAISA-N
InChI=1S/C19H18N4O4S/c1-19(2)14(18(26)27)23-16(25)13(17(23)28-19)22-15(24)12-11(20-8-9-21-12)10-6-4-3-5-7-10/h3-9,13-14,17H,1-2H3,(H,22,24)(H,26,27)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18N4O4S
Molecular Weight 398.436
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 14:24:43 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:43 GMT 2023
Record UNII
5F37WZ0ILS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-PHENYLPYRAZINYL)PENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(3-PHENYLPYRAZINECARBOXAMIDO)-
Systematic Name English
Code System Code Type Description
CAS
4853-38-7
Created by admin on Sat Dec 16 14:24:43 GMT 2023 , Edited by admin on Sat Dec 16 14:24:43 GMT 2023
PRIMARY
PUBCHEM
133082232
Created by admin on Sat Dec 16 14:24:43 GMT 2023 , Edited by admin on Sat Dec 16 14:24:43 GMT 2023
PRIMARY
FDA UNII
5F37WZ0ILS
Created by admin on Sat Dec 16 14:24:43 GMT 2023 , Edited by admin on Sat Dec 16 14:24:43 GMT 2023
PRIMARY
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