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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO4S2
Molecular Weight 275.345
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCH-29482

SMILES

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

InChI

InChIKey=LDVDKTLZRGWFID-GLDDHUGJSA-N
InChI=1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4-,5+,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H13NO4S2
Molecular Weight 275.345
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 14:53:22 GMT 2023
Edited
by admin
on Sat Dec 16 14:53:22 GMT 2023
Record UNII
VC3PP3FE5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCH-29482
Code English
4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(ETHYLTHIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-, (5R,6S)-
Systematic Name English
(5R,6S)-3-(ETHYLTHIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
VC3PP3FE5P
Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID10228293
Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023
PRIMARY
PUBCHEM
13120881
Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023
PRIMARY
CAS
77646-83-4
Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023
PRIMARY
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