CP-38371

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N8O2S
Molecular Weight	388.447
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(N)C=C3)C4=NN=NN4

InChI

InChIKey=KKJLKMXROHVRMW-YYHMBLRTSA-N

InChI=1S/C16H20N8O2S/c1-16(2)11(12-20-22-23-21-12)24-14(26)10(15(24)27-16)19-13(25)9(18)7-3-5-8(17)6-4-7/h3-6,9-11,15H,17-18H2,1-2H3,(H,19,25)(H,20,21,22,23)/t9-,10-,11+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H20N8O2S
Molecular Weight	388.447
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:18:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:18:27 GMT 2023`
Record UNII	WNH9S9PMG1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-38371

Code

English

BENZENEACETAMIDE, .ALPHA.,4-DIAMINO-N-((2S,5R,6R)-3,3-DIMETHYL-7-OXO-2-(1H-TETRAZOL-5-YL)-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-, (.ALPHA.R)-

Systematic Name

English

6-(D-2-AMINO-2-(4-AMINOPHENYL) ACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-YL-5-TETRAZOLE

Common Name

English

BENZENEACETAMIDE, .ALPHA.,4-DIAMINO-N-(3,3-DIMETHYL-7-OXO-2-(1H-TETRAZOL-5-YL)-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL)-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-

Common Name

English

Code System Code Type Description

CAS

56852-63-2

Created by admin on Fri Dec 15 15:18:27 GMT 2023 , Edited by admin on Fri Dec 15 15:18:27 GMT 2023

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PUBCHEM

117065566

Created by admin on Fri Dec 15 15:18:27 GMT 2023 , Edited by admin on Fri Dec 15 15:18:27 GMT 2023

PRIMARY

FDA UNII

WNH9S9PMG1

Created by admin on Fri Dec 15 15:18:27 GMT 2023 , Edited by admin on Fri Dec 15 15:18:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID90205385

Created by admin on Fri Dec 15 15:18:27 GMT 2023 , Edited by admin on Fri Dec 15 15:18:27 GMT 2023

PRIMARY

Related Record Type Details


					WNH9S9PMG1

CP-38371

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