LY-164846

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17N3O4S2
Molecular Weight	403.475
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CSC4=C3C=CC=C4)C2=O)C(O)=O

InChI

InChIKey=UZIXWKQHCIOPLV-PBFPGSCMSA-N

InChI=1S/C18H17N3O4S2/c1-8-6-27-17-13(16(23)21(17)14(8)18(24)25)20-15(22)12(19)10-7-26-11-5-3-2-4-9(10)11/h2-5,7,12-13,17H,6,19H2,1H3,(H,20,22)(H,24,25)/t12-,13-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H17N3O4S2
Molecular Weight	403.475
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:54:51 GMT 2025` Edited by `admin` on `Mon Mar 31 17:54:51 GMT 2025`
Record UNII	S50FK70SC7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-164846

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-AMINOBENZO(B)THIEN-3-YLACETYL)AMINO)-3-METHYL-8-OXO-, (6R,7R)-

Preferred Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINOBENZO(B)THIEN-3-YLACETYL)AMINO)-3-METHYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*)))-

Systematic Name

English

Code System Code Type Description

FDA UNII

S50FK70SC7

Created by admin on Mon Mar 31 17:54:51 GMT 2025 , Edited by admin on Mon Mar 31 17:54:51 GMT 2025

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CAS

92218-37-6

Created by admin on Mon Mar 31 17:54:51 GMT 2025 , Edited by admin on Mon Mar 31 17:54:51 GMT 2025

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EPA CompTox

DTXSID10919295

Created by admin on Mon Mar 31 17:54:51 GMT 2025 , Edited by admin on Mon Mar 31 17:54:51 GMT 2025

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PUBCHEM

14021703

Created by admin on Mon Mar 31 17:54:51 GMT 2025 , Edited by admin on Mon Mar 31 17:54:51 GMT 2025

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