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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H14ClN5O6S5
Molecular Weight 628.144
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of HMRZ-62

SMILES

NC1=NC(\C(=N\O)C(=O)N[C@H]2[C@H]3SCC(\C=C\SC4=CC(=O)C5=C(S4)C=CS5)=C(N3C2=O)C(O)=O)=C(Cl)S1

InChI

InChIKey=MVWBOIVTSWBWSW-ODHMRBRASA-N
InChI=1S/C21H14ClN5O6S5/c22-16-11(25-21(23)38-16)12(26-33)17(29)24-13-18(30)27-14(20(31)32)7(6-36-19(13)27)1-3-34-10-5-8(28)15-9(37-10)2-4-35-15/h1-5,13,19,33H,6H2,(H2,23,25)(H,24,29)(H,31,32)/b3-1+,26-12-/t13-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H14ClN5O6S5
Molecular Weight 628.144
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:34:44 GMT 2025
Edited
by admin
on Mon Mar 31 18:34:44 GMT 2025
Record UNII
LS98RW5AJF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-5-CHLORO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-((1E)-2-((7-OXO-7H-THIENO(3,2-B)THIOPYRAN-5-YL)THIO)ETHENYL)-, (6R,7R)-
Preferred Name English
HMRZ-62
Code English
(6R,7R)-7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-((1E)-2-((7-OXO-7H-THIENO(3,2-B)THIOPYRAN-5-YL)THIO)ETHENYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
HMRZ62
Code English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-((1E)-2-((7-OXO-7H-THIENO(3,2-B)THIOPYRAN-5-YL)THIO)ETHENYL)-, (6R,7R)-
Systematic Name English
Code System Code Type Description
FDA UNII
LS98RW5AJF
Created by admin on Mon Mar 31 18:34:44 GMT 2025 , Edited by admin on Mon Mar 31 18:34:44 GMT 2025
PRIMARY
PUBCHEM
157010691
Created by admin on Mon Mar 31 18:34:44 GMT 2025 , Edited by admin on Mon Mar 31 18:34:44 GMT 2025
PRIMARY
CAS
287118-33-6
Created by admin on Mon Mar 31 18:34:44 GMT 2025 , Edited by admin on Mon Mar 31 18:34:44 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY