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

Details

Stereochemistry EPIMERIC
Molecular Formula C24H28N2O6
Molecular Weight 440.4889
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELAPRIL, (5-HYDROXY-INDANE DIACID)-

SMILES

C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N(CC(O)=O)C2CC3=C(C2)C=C(O)C=C3

InChI

InChIKey=RJZAFPDUEWDGSP-OBSROXCCSA-N
InChI=1S/C24H28N2O6/c1-15(25-21(24(31)32)10-7-16-5-3-2-4-6-16)23(30)26(14-22(28)29)19-11-17-8-9-20(27)13-18(17)12-19/h2-6,8-9,13,15,19,21,25,27H,7,10-12,14H2,1H3,(H,28,29)(H,31,32)/t15-,19?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28N2O6
Molecular Weight 440.4889
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:09:27 GMT 2023
Edited
by admin
on Sat Dec 16 14:09:27 GMT 2023
Record UNII
6QQ318G1U9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELAPRIL, (5-HYDROXY-INDANE DIACID)-
Common Name English
GLYCINE, N-((1S)-1-CARBOXY-3-PHENYLPROPYL)-L-ALANYL-N-(2,3-DIHYDRO-5-HYDROXY-1H-INDEN-2-YL)-
Systematic Name English
DELAPRIL METABOLITE M3
Common Name English
DELAPRIL METABOLITE M-III
Common Name English
Code System Code Type Description
PUBCHEM
70264020
Created by admin on Sat Dec 16 14:09:27 GMT 2023 , Edited by admin on Sat Dec 16 14:09:27 GMT 2023
PRIMARY
CAS
100699-44-3
Created by admin on Sat Dec 16 14:09:27 GMT 2023 , Edited by admin on Sat Dec 16 14:09:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID50905672
Created by admin on Sat Dec 16 14:09:27 GMT 2023 , Edited by admin on Sat Dec 16 14:09:27 GMT 2023
PRIMARY
FDA UNII
6QQ318G1U9
Created by admin on Sat Dec 16 14:09:27 GMT 2023 , Edited by admin on Sat Dec 16 14:09:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE