Desfuroylceftiofur cysteine disulfide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20N6O7S4
Molecular Weight	548.637
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Desfuroylceftiofur cysteine disulfide

Structure Search

SMILES

[H][C@]12SCC(CSSC[C@H](N)C(O)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C3=CSC(N)=N3)C(O)=O

InChI

InChIKey=JOKBPDNPVWSNNL-YOFCFWCLSA-N

InChI=1S/C17H20N6O7S4/c1-30-22-9(8-5-32-17(19)20-8)12(24)21-10-13(25)23-11(16(28)29)6(2-31-14(10)23)3-33-34-4-7(18)15(26)27/h5,7,10,14H,2-4,18H2,1H3,(H2,19,20)(H,21,24)(H,26,27)(H,28,29)/b22-9-/t7-,10+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H20N6O7S4
Molecular Weight	548.637
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:36:39 GMT 2023` Edited by `admin` on `Sat Dec 16 19:36:39 GMT 2023`
Record UNII	Z6EP6AGR72
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Desfuroylceftiofur cysteine disulfide

Common Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(2-amino-2-carboxyethyl)dithio]methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, [6R-[3(R*),6α,7β(Z)]]-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[(2R)-2-amino-2-carboxyethyl]dithio]methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-

Systematic Name

English

(6R,7R)-3-[[[(2R)-2-Amino-2-carboxyethyl]dithio]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]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-[[[(2R)-2-amino-2-carboxyethyl]dithio]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Z6EP6AGR72

Created by admin on Sat Dec 16 19:36:39 GMT 2023 , Edited by admin on Sat Dec 16 19:36:39 GMT 2023

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CAS

158039-15-7

Created by admin on Sat Dec 16 19:36:39 GMT 2023 , Edited by admin on Sat Dec 16 19:36:39 GMT 2023

PRIMARY

PUBCHEM

71315660

Created by admin on Sat Dec 16 19:36:39 GMT 2023 , Edited by admin on Sat Dec 16 19:36:39 GMT 2023

PRIMARY