(6R,7R)-3-((ACETYLOXY)METHYL)-7-(((2Z)-4-BROMO-2-(METHOXYIMINO)-1,3-DIOXOBUTYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H16BrN3O8S
Molecular Weight	478.272
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (6R,7R)-3-((ACETYLOXY)METHYL)-7-(((2Z)-4-BROMO-2-(METHOXYIMINO)-1,3-DIOXOBUTYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C(=O)CBr)C(O)=O

InChI

InChIKey=NIHKZDOTKQWEAL-UCBXJQBOSA-N

InChI=1S/C15H16BrN3O8S/c1-6(20)27-4-7-5-28-14-10(13(23)19(14)11(7)15(24)25)17-12(22)9(18-26-2)8(21)3-16/h10,14H,3-5H2,1-2H3,(H,17,22)(H,24,25)/b18-9-/t10-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H16BrN3O8S
Molecular Weight	478.272
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 15:40:24 UTC 2023` Edited by `admin` on `Sat Dec 16 15:40:24 UTC 2023`
Record UNII	C4SGS4H4HM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R,7R)-3-((ACETYLOXY)METHYL)-7-(((2Z)-4-BROMO-2-(METHOXYIMINO)-1,3-DIOXOBUTYL)AMINO)-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, 3-((ACETYLOXY)METHYL)-7-(((2Z)-4-BROMO-2-(METHOXYIMINO)-1,3-DIOXOBUTYL)AMINO)-8-OXO-, (6R,7R)-

Systematic Name

English

BROMOACETYL ANALOG

Common Name

English

BROMOACETYL ANALOG [USP IMPURITY]

Common Name

English

(6R,7R)-3-(ACETOXYMETHYL)-7-((Z)-4-BROMO-2-(METHOXYIMINO)-3-OXOBUTANAMIDO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

C4SGS4H4HM

Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023

PRIMARY

CAS

83305-12-8

Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023

PRIMARY

PUBCHEM

14074037

Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023

PRIMARY

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