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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19N5O4S2.H2O
Molecular Weight 463.531
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BAY-V-3522

SMILES

O.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=IOKIMKWTGZVJPY-HERYOFLYSA-N
InChI=1S/C19H19N5O4S2.H2O/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);1H2/b3-2-;/t12-,13-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:25 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:25 UTC 2019
Record UNII
9F4O89Z826
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-V-3522
Code English
7-(D-2-AMINO-2-(AMINOBENZOTHIAZOL-6-YL-ACETOAMIDE)-3-((Z)-1-PROPEN-1-LY)-3-CEPHEM-4-CARBOXYLIC ACID MONOHYDRATE
Systematic 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)-, MONOHYDRATE
Systematic Name English
Related Record Type Details
PARENT -> SALT/SOLVATE