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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H36N4O8
Molecular Weight 592.6395
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IVL-745

SMILES

COC1=CC=C(CN(CCC(O)=O)C(=O)CNC(=O)CC2=CC=C(NC(=O)NC3=C(C)C=CC=C3)C(OC)=C2)C=C1OC

InChI

InChIKey=WZFRNNCNGXELDE-UHFFFAOYSA-N
InChI=1S/C31H36N4O8/c1-20-7-5-6-8-23(20)33-31(40)34-24-11-9-21(15-26(24)42-3)17-28(36)32-18-29(37)35(14-13-30(38)39)19-22-10-12-25(41-2)27(16-22)43-4/h5-12,15-16H,13-14,17-19H2,1-4H3,(H,32,36)(H,38,39)(H2,33,34,40)

HIDE SMILES / InChI

Molecular Formula C31H36N4O8
Molecular Weight 592.6395
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:31:20 GMT 2023
Edited
by admin
on Fri Dec 15 15:31:20 GMT 2023
Record UNII
F387KG9ITH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IVL-745
Code English
.BETA.-ALANINE, N-(2-(3-METHOXY-4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)ACETYL)GLYCYL-N-((3,4-DIMETHOXYPHENYL)METHYL)-
Systematic Name English
IVL745
Code English
Code System Code Type Description
FDA UNII
F387KG9ITH
Created by admin on Fri Dec 15 15:31:20 GMT 2023 , Edited by admin on Fri Dec 15 15:31:20 GMT 2023
PRIMARY
PUBCHEM
9830010
Created by admin on Fri Dec 15 15:31:20 GMT 2023 , Edited by admin on Fri Dec 15 15:31:20 GMT 2023
PRIMARY
CAS
229627-58-1
Created by admin on Fri Dec 15 15:31:20 GMT 2023 , Edited by admin on Fri Dec 15 15:31:20 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY