7-[[2-[(2-Amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H21N7O7S3
Molecular Weight	519.576
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-[[2-[(2-Amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Structure Search

SMILES

CO[C@]1(NC(=O)CSCC(N)C(O)=O)[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O

InChI

InChIKey=JSDXOWVAHXDYCU-MQWBZMFZSA-N

InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8?,14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H21N7O7S3
Molecular Weight	519.576
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:22:21 GMT 2025` Edited by `admin` on `Wed Apr 02 17:22:21 GMT 2025`
Record UNII	USQ9747CU9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-[[2-[(2-Amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-

Systematic Name

English

(6R,7S)-7-[[2-[(2-Amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Preferred Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(2-amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-(6?,7?)]-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(2-amino-2-carboxyethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-

Systematic Name

English

Code System Code Type Description

CAS

766459-15-8

Created by admin on Wed Apr 02 17:22:21 GMT 2025 , Edited by admin on Wed Apr 02 17:22:21 GMT 2025

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PUBCHEM

156345

Created by admin on Wed Apr 02 17:22:21 GMT 2025 , Edited by admin on Wed Apr 02 17:22:21 GMT 2025

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FDA UNII

USQ9747CU9

Created by admin on Wed Apr 02 17:22:21 GMT 2025 , Edited by admin on Wed Apr 02 17:22:21 GMT 2025

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