CPW-86-363

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H17N9O7S2
Molecular Weight	523.503
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC(O)=O)\C4=NNC=C4)C3=O)C(O)=O

InChI

InChIKey=AXCIEQAUBGQHIM-PCZSKDDWSA-N

InChI=1S/C17H17N9O7S2/c1-25-17(21-23-24-25)35-6-7-5-34-15-11(14(30)26(15)12(7)16(31)32)19-13(29)10(8-2-3-18-20-8)22-33-4-9(27)28/h2-3,11,15H,4-6H2,1H3,(H,18,20)(H,19,29)(H,27,28)(H,31,32)/b22-10-/t11-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H17N9O7S2
Molecular Weight	523.503
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 `Wed Apr 02 07:17:25 GMT 2025` Edited by `admin` on `Wed Apr 02 07:17:25 GMT 2025`
Record UNII	ZH1X7IYM3Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CPW 86-363

Preferred Name

English

CPW-86-363

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-((CARBOXYMETHOXY)IMINO)-1H-PYRAZOL-3-YLACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, (6R,7R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301031219

Created by admin on Wed Apr 02 07:17:25 GMT 2025 , Edited by admin on Wed Apr 02 07:17:25 GMT 2025

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PUBCHEM

137203395

Created by admin on Wed Apr 02 07:17:25 GMT 2025 , Edited by admin on Wed Apr 02 07:17:25 GMT 2025

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FDA UNII

ZH1X7IYM3Q

Created by admin on Wed Apr 02 07:17:25 GMT 2025 , Edited by admin on Wed Apr 02 07:17:25 GMT 2025

PRIMARY

CAS

84080-55-7

Created by admin on Wed Apr 02 07:17:25 GMT 2025 , Edited by admin on Wed Apr 02 07:17:25 GMT 2025

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Related Record Type Details


					ZH1X7IYM3Q

CPW-86-363

ACTIVE MOIETY

Amount: