FR-182024

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H16N4O4S3
Molecular Weight	448.539
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NN=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)CC4=CC=CC=C4)C3=O)C(O)=O)S1

InChI

InChIKey=IQURDYALUUXKIJ-CZUORRHYSA-N

InChI=1S/C18H16N4O4S3/c1-9-20-21-18(28-9)29-11-8-27-16-13(15(24)22(16)14(11)17(25)26)19-12(23)7-10-5-3-2-4-6-10/h2-6,13,16H,7-8H2,1H3,(H,19,23)(H,25,26)/t13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H16N4O4S3
Molecular Weight	448.539
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 `Mon Mar 31 22:36:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:20 GMT 2025`
Record UNII	9031SV3FWE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-182024

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)-8-OXO-7-((PHENYLACETYL)AMINO)-, (6R,7R)-

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)-8-OXO-7-((PHENYLACETYL)AMINO)-, (6R-TRANS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9031SV3FWE

Created by admin on Mon Mar 31 22:36:20 GMT 2025 , Edited by admin on Mon Mar 31 22:36:20 GMT 2025

PRIMARY

PUBCHEM

9911528

Created by admin on Mon Mar 31 22:36:20 GMT 2025 , Edited by admin on Mon Mar 31 22:36:20 GMT 2025

PRIMARY

CAS

179034-83-4

Created by admin on Mon Mar 31 22:36:20 GMT 2025 , Edited by admin on Mon Mar 31 22:36:20 GMT 2025

PRIMARY

Related Record Type Details


					9031SV3FWE

FR-182024

ACTIVE MOIETY