U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28N4O5S
Molecular Weight 424.514
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of V-85546

SMILES

CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C1=NOC(=N1)C2=CC=CS2)C(C)(C)C

InChI

InChIKey=BLZRQJYPLPCJTR-KWCYVHTRSA-N
InChI=1S/C19H28N4O5S/c1-10(2)9-11(13(24)17(26)22-27)16(25)20-14(19(3,4)5)15-21-18(28-23-15)12-7-6-8-29-12/h6-8,10-11,13-14,24,27H,9H2,1-5H3,(H,20,25)(H,22,26)/t11-,13+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H28N4O5S
Molecular Weight 424.514
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:45:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:45:16 GMT 2023
Record UNII
V7CB4HWX8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
V-85546
Code English
AS-111793
Code English
BUTANEDIAMIDE, N1-((1S)-2,2-DIMETHYL-1-(5-(2-THIENYL)-1,2,4-OXADIAZOL-3-YL)PROPYL)-N4,3-DIHYDROXY-2-(2-METHYLPROPYL)-, (2R,3S)-
Systematic Name English
(2R,3S)-N1-((1S)-2,2-DIMETHYL-1-(5-(2-THIENYL)-1,2,4-OXADIAZOL-3-YL)PROPYL)-N4,3-DIHYDROXY-2-(2-METHYLPROPYL)BUTANEDIAMIDE
Common Name English
V85546
Common Name English
Code System Code Type Description
SMS_ID
300000047575
Created by admin on Sat Dec 16 18:45:16 GMT 2023 , Edited by admin on Sat Dec 16 18:45:16 GMT 2023
PRIMARY
CAS
586972-97-6
Created by admin on Sat Dec 16 18:45:16 GMT 2023 , Edited by admin on Sat Dec 16 18:45:16 GMT 2023
PRIMARY
PUBCHEM
9802448
Created by admin on Sat Dec 16 18:45:16 GMT 2023 , Edited by admin on Sat Dec 16 18:45:16 GMT 2023
PRIMARY
FDA UNII
V7CB4HWX8B
Created by admin on Sat Dec 16 18:45:16 GMT 2023 , Edited by admin on Sat Dec 16 18:45:16 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY