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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

C\C=C/C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CC=C4N=C(N)SC4=C3)C2=O)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

Approval Year

Name Type Language
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*)))-
Preferred Name English
BAY-V-3522 ANHYDROUS
Code 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 Mon Mar 31 22:55:18 GMT 2025 , Edited by admin on Mon Mar 31 22:55:18 GMT 2025
PRIMARY
CAS
120635-27-0
Created by admin on Mon Mar 31 22:55:18 GMT 2025 , Edited by admin on Mon Mar 31 22:55:18 GMT 2025
PRIMARY
FDA UNII
75HLV3QOH7
Created by admin on Mon Mar 31 22:55:18 GMT 2025 , Edited by admin on Mon Mar 31 22:55:18 GMT 2025
PRIMARY