7-amino-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H12N6O3S2
Molecular Weight	328.371
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-amino-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-

Structure Search

SMILES

[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=XUTQHTOXGKVJPN-SVGQVSJJSA-N

InChI=1S/C10H12N6O3S2/c1-15-10(12-13-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)/t5-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H12N6O3S2
Molecular Weight	328.371
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:35:46 GMT 2023` Edited by `admin` on `Sat Dec 16 17:35:46 GMT 2023`
Record UNII	H8XPJ7E8AX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-amino-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-

Systematic Name

English

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

Systematic Name

English

(6R-trans)-7-amino-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-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-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

H8XPJ7E8AX

Created by admin on Sat Dec 16 17:35:46 GMT 2023 , Edited by admin on Sat Dec 16 17:35:46 GMT 2023

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CAS

24209-38-9

Created by admin on Sat Dec 16 17:35:46 GMT 2023 , Edited by admin on Sat Dec 16 17:35:46 GMT 2023

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EPA CompTox

DTXSID701105488

Created by admin on Sat Dec 16 17:35:46 GMT 2023 , Edited by admin on Sat Dec 16 17:35:46 GMT 2023

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PUBCHEM

91136

Created by admin on Sat Dec 16 17:35:46 GMT 2023 , Edited by admin on Sat Dec 16 17:35:46 GMT 2023

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