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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24FN11O5S2
Molecular Weight 569.593
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CB-181963

SMILES

[H][C@]12SCC(\C=N\N(C)C(=N)N3CCNCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCF)\C4=NSC(N)=N4)C(O)=O

InChI

InChIKey=VNZAURNTTOSQRE-XQMVPPGESA-N
InChI=1S/C19H24FN11O5S2/c1-29(19(22)30-4-2-23-3-5-30)24-6-9-7-37-16-11(15(33)31(16)12(9)17(34)35)25-14(32)10(27-36-8-20)13-26-18(21)38-28-13/h6,11,16,22-23H,2-5,7-8H2,1H3,(H,25,32)(H,34,35)(H2,21,26,28)/b22-19?,24-6+,27-10-/t11-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24FN11O5S2
Molecular Weight 569.593
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:23 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:23 GMT 2023
Record UNII
6784994L0W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CB-181963
Common Name English
(-)-CB-181963
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(5-AMINO-1,2,4-THIADIAZOL-3-YL)((FLUOROMETHOXY)IMINO)ACETYL)AMINO)-3-((E)-((IMINO-1-PIPERAZINYLMETHYL)METHYLHYDRAZONO)METHYL)-8-OXO-, (6R,7R)-
Systematic Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-((FLUOROMETHOXY)IMINO)ACETYL)AMINO)-3-((E)-(2-(IMINO-1-PIPERAZINYLMETHYL)-2-METHYLHYDRAZINYLIDENE)METHYL)-8-OXO-, (6R,7R)-
Systematic Name English
Code System Code Type Description
CAS
635292-67-0
Created by admin on Sat Dec 16 11:08:23 GMT 2023 , Edited by admin on Sat Dec 16 11:08:23 GMT 2023
PRIMARY
FDA UNII
6784994L0W
Created by admin on Sat Dec 16 11:08:23 GMT 2023 , Edited by admin on Sat Dec 16 11:08:23 GMT 2023
PRIMARY
PUBCHEM
9808944
Created by admin on Sat Dec 16 11:08:23 GMT 2023 , Edited by admin on Sat Dec 16 11:08:23 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY