(5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H28NO5S3Si.Na
Molecular Weight	485.689
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

Structure Search

SMILES

[Na+].C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]2SC(S[C@H]3CC[S@@+]([O-])C3)=C(N2C1=O)C([O-])=O

InChI

InChIKey=VBDHHBSTBDHFTO-ZZEPVJDPSA-M

InChI=1S/C18H29NO5S3Si.Na/c1-10(24-28(5,6)18(2,3)4)12-14(20)19-13(16(21)22)17(26-15(12)19)25-11-7-8-27(23)9-11;/h10-12,15H,7-9H2,1-6H3,(H,21,22);/q;+1/p-1/t10-,11+,12+,15-,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H28NO5S3Si
Molecular Weight	462.699
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:00:29 GMT 2025` Edited by `admin` on `Wed Apr 02 21:00:29 GMT 2025`
Record UNII	3K3VZ3W2ZK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(tetrahydro-1-oxido-3-thienyl)thio]-, sodium salt, [5R-[3(1R*,3S*),5?,6?(R*)]]-

Preferred Name

English

(5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(tetrahydro-3-thienyl)thio]-, S-oxide, sodium salt, [5R-[3(1R*,3S*),5?,6?(R*)]]-

Systematic Name

English

Code System Code Type Description

FDA UNII

3K3VZ3W2ZK

Created by admin on Wed Apr 02 21:00:29 GMT 2025 , Edited by admin on Wed Apr 02 21:00:29 GMT 2025

PRIMARY

CAS

120788-13-8

Created by admin on Wed Apr 02 21:00:29 GMT 2025 , Edited by admin on Wed Apr 02 21:00:29 GMT 2025

PRIMARY

PUBCHEM

171390261

Created by admin on Wed Apr 02 21:00:29 GMT 2025 , Edited by admin on Wed Apr 02 21:00:29 GMT 2025

PRIMARY

Related Record Type Details


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(5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

PARENT -> SALT/SOLVATE

Amount: