RO-23-9424

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H31F3N8O8S2
Molecular Weight	764.752
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(COC(=O)C3=CN(CCF)C4=C(F)C(N5CCN(C)CC5)=C(F)C=C4C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C6=CSC(N)=N6)C(O)=O

InChI

InChIKey=IKYGJSBKPPIKJK-JDKVAZDPSA-N

InChI=1S/C31H31F3N8O8S2/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47)/b38-20-/t21-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H31F3N8O8S2
Molecular Weight	764.752
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 `Sat Dec 16 05:39:22 UTC 2023` Edited by `admin` on `Sat Dec 16 05:39:22 UTC 2023`
Record UNII	LAL7R1U4BO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-23-9424

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-3-((((6,8-DIFLUORO-1-(2-FLUOROETHYL)-1,4-DIHYDRO-7-(4-METHYL-1-PIPERAZINYL)-4-OXO-3-QUINOLINYL)CARBONYL)OXY)METHYL)-8-OXO-, (6R,7R)-

Common Name

English

Code System Code Type Description

FDA UNII

LAL7R1U4BO

Created by admin on Sat Dec 16 05:39:22 UTC 2023 , Edited by admin on Sat Dec 16 05:39:22 UTC 2023

PRIMARY

CAS

115622-58-7

Created by admin on Sat Dec 16 05:39:22 UTC 2023 , Edited by admin on Sat Dec 16 05:39:22 UTC 2023

PRIMARY

PUBCHEM