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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19N5O4S2
Molecular Weight 445.515
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BAY-V-3522 ANHYDROUS

SMILES

[H][C@]12SCC(\C=C/C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC4=C(C=C3)N=C(N)S4)C(O)=O

InChI

InChIKey=GSPMBQQDLRBMID-AGGBKSKLSA-N
InChI=1S/C19H19N5O4S2/c1-2-3-9-7-29-17-13(16(26)24(17)14(9)18(27)28)23-15(25)12(20)8-4-5-10-11(6-8)30-19(21)22-10/h2-6,12-13,17H,7,20H2,1H3,(H2,21,22)(H,23,25)(H,27,28)/b3-2-/t12-,13-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H19N5O4S2
Molecular Weight 445.515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:50 UTC 2023
Edited
by admin
on Sat Dec 16 09:55:50 UTC 2023
Record UNII
75HLV3QOH7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-V-3522 ANHYDROUS
Code English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO(2-AMINO-6-BENZOTHIAZOLYL)ACETYL)AMINO)-8-OXO-3-(1-PROPENYL)-, (6R-(3(Z),6ALPHA,7BETA(R*)))-
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-AMINO(2-AMINO-6-BENZOTHIAZOLYL)ACETYL)AMINO)-8-OXO-3-(1Z)-1-PROPENYL-, (6R,7R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6440069
Created by admin on Sat Dec 16 09:55:50 UTC 2023 , Edited by admin on Sat Dec 16 09:55:50 UTC 2023
PRIMARY
CAS
120635-27-0
Created by admin on Sat Dec 16 09:55:50 UTC 2023 , Edited by admin on Sat Dec 16 09:55:50 UTC 2023
PRIMARY
FDA UNII
75HLV3QOH7
Created by admin on Sat Dec 16 09:55:50 UTC 2023 , Edited by admin on Sat Dec 16 09:55:50 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
SALT/SOLVATE -> PARENT