2-Propen-1-yl (5R,6S)-6-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylsulfinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Details

Stereochemistry	EPIMERIC
Molecular Formula	C20H33NO5S2Si
Molecular Weight	459.695
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Propen-1-yl (5R,6S)-6-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylsulfinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Structure Search

SMILES

CCC[S+]([O-])C1=C(N2[C@H](S1)[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C2=O)C(=O)OCC=C

InChI

InChIKey=XBRDWBYQPQLCNK-JWGKQYASSA-N

InChI=1S/C20H33NO5S2Si/c1-9-11-25-18(23)15-19(28(24)12-10-2)27-17-14(16(22)21(15)17)13(3)26-29(7,8)20(4,5)6/h9,13-14,17H,1,10-12H2,2-8H3/t13-,14+,17-,28?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H33NO5S2Si
Molecular Weight	459.695
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:16:30 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:30 GMT 2025`
Record UNII	TS992FD4JK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Propen-1-yl (5R,6S)-6-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylsulfinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systematic Name

English

(5R,6S)-allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylsulfinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Preferred Name

English

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylsulfinyl)-, 2-propen-1-yl ester, (5R,6S)-

Systematic Name

English

Code System Code Type Description

CAS

1392406-55-1

Created by admin on Wed Apr 02 19:16:30 GMT 2025 , Edited by admin on Wed Apr 02 19:16:30 GMT 2025

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FDA UNII

TS992FD4JK

Created by admin on Wed Apr 02 19:16:30 GMT 2025 , Edited by admin on Wed Apr 02 19:16:30 GMT 2025

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PUBCHEM

134946781

Created by admin on Wed Apr 02 19:16:30 GMT 2025 , Edited by admin on Wed Apr 02 19:16:30 GMT 2025

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