LB-10827

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 Search

SMILES

NC1=NC(\C(=N\O)C(=O)N[C@H]2[C@H]3SCC(SCSC4=NC(N)=NC(N)=C4)=C(N3C2=O)C(O)=O)=C(Cl)S1

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 `Mon Mar 31 23:27:03 GMT 2025` Edited by `admin` on `Mon Mar 31 23:27:03 GMT 2025`
Record UNII	HH2JKS7ZVW
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)-3-((((2,6-DIAMINO-4-PYRIMIDINYL)THIO)METHYL)THIO)-8-OXO-, (6R,7R)-

Preferred Name

English

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

LB10827

Code

English

Code System Code Type Description

FDA UNII

HH2JKS7ZVW

Created by admin on Mon Mar 31 23:27:03 GMT 2025 , Edited by admin on Mon Mar 31 23:27:03 GMT 2025

PRIMARY

PUBCHEM

9851428

Created by admin on Mon Mar 31 23:27:03 GMT 2025 , Edited by admin on Mon Mar 31 23:27:03 GMT 2025

PRIMARY

EPA CompTox

DTXSID501098586

Created by admin on Mon Mar 31 23:27:03 GMT 2025 , Edited by admin on Mon Mar 31 23:27:03 GMT 2025

PRIMARY

CAS

250597-40-1

Created by admin on Mon Mar 31 23:27:03 GMT 2025 , Edited by admin on Mon Mar 31 23:27:03 GMT 2025

PRIMARY

Related Record Type Details


					HH2JKS7ZVW

LB-10827

ACTIVE MOIETY