MC-02479

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20ClN7O5S4
Molecular Weight	602.13
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCSCC1=CN=CC=C1SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O)\C4=C(Cl)SC(N)=N4)C3=O)C(O)=O

InChI

InChIKey=LTUWUNMGTLOPNC-RLQAYIIJSA-N

InChI=1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)/b27-12-/t13-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H20ClN7O5S4
Molecular Weight	602.13
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:58:00 GMT 2025` Edited by `admin` on `Mon Mar 31 20:58:00 GMT 2025`
Record UNII	JT9JMJ39UF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MC-02479

Code

English

MC-02,479

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-5-CHLORO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-((3-(((2-AMINOETHYL)THIO)METHYL)-4-PYRIDINYL)THIO)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(Z)))-

Systematic Name

English

RWJ-54428

Code

English

MC02479

Code

English

(6R,7R)-7-(((2Z)-2-(2-AMINO-5-CHLORO-THIAZOL-4-YL)-2-HYDROXYIMINO-ACETYL)AMINO)-3-((3-(2-AMINOETHYLSULFANYLMETHYL)-4-PYRIDYL)SULFANYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

RWJ54428

Code

English

Code System Code Type Description

CAS

189448-35-9

Created by admin on Mon Mar 31 20:58:00 GMT 2025 , Edited by admin on Mon Mar 31 20:58:00 GMT 2025

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PUBCHEM

53435991

Created by admin on Mon Mar 31 20:58:00 GMT 2025 , Edited by admin on Mon Mar 31 20:58:00 GMT 2025

PRIMARY

FDA UNII

JT9JMJ39UF

Created by admin on Mon Mar 31 20:58:00 GMT 2025 , Edited by admin on Mon Mar 31 20:58:00 GMT 2025

PRIMARY

EPA CompTox

DTXSID90940461

Created by admin on Mon Mar 31 20:58:00 GMT 2025 , Edited by admin on Mon Mar 31 20:58:00 GMT 2025

PRIMARY

Related Record Type Details


					JT9JMJ39UF

MC-02479

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