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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16ClN9O5S4
Molecular Weight 590.079
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LB-10827

SMILES

[H][C@]12SCC(SCSC3=NC(N)=NC(N)=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C4=C(Cl)SC(N)=N4)C(O)=O

InChI

InChIKey=OBZREKINKKRXQH-SJCJUFQRSA-N
InChI=1S/C17H16ClN9O5S4/c18-11-7(25-17(21)36-11)8(26-32)12(28)24-9-13(29)27-10(15(30)31)4(2-33-14(9)27)34-3-35-6-1-5(19)22-16(20)23-6/h1,9,14,32H,2-3H2,(H2,21,25)(H,24,28)(H,30,31)(H4,19,20,22,23)/b26-8-/t9-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16ClN9O5S4
Molecular Weight 590.079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:13 GMT 2023
Record UNII
HH2JKS7ZVW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LB-10827
Code English
(6R,7R)-7-(((2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-3-((((2,6-DIAMINO-4-PYRIMIDINYL)THIO)METHYL)THIO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name 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)-3-((((2,6-DIAMINO-4-PYRIMIDINYL)THIO)METHYL)THIO)-8-OXO-, (6R,7R)-
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-5-CHLORO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-((((2,6-DIAMINO-4-PYRIMIDINYL)THIO)METHYL)THIO)-8-OXO-, (6R,7R)-
Systematic Name English
LB10827
Code English
Code System Code Type Description
FDA UNII
HH2JKS7ZVW
Created by admin on Sat Dec 16 10:48:13 GMT 2023 , Edited by admin on Sat Dec 16 10:48:13 GMT 2023
PRIMARY
PUBCHEM
9851428
Created by admin on Sat Dec 16 10:48:13 GMT 2023 , Edited by admin on Sat Dec 16 10:48:13 GMT 2023
PRIMARY
CAS
250597-40-1
Created by admin on Sat Dec 16 10:48:13 GMT 2023 , Edited by admin on Sat Dec 16 10:48:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID50109858
Created by admin on Sat Dec 16 10:48:13 GMT 2023 , Edited by admin on Sat Dec 16 10:48:13 GMT 2023
PRIMARY
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