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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24N2O4S
Molecular Weight 364.459
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESACETYLALACEPRIL

SMILES

C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=GICPPYOSOHKZPY-SNPRPXQTSA-N
InChI=1S/C18H24N2O4S/c1-12(11-25)17(22)20-9-5-8-15(20)16(21)19-14(18(23)24)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24N2O4S
Molecular Weight 364.459
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 14:08:13 UTC 2023
Edited
by admin
on Sat Dec 16 14:08:13 UTC 2023
Record UNII
B6B1RRA3XL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESACETYLALACEPRIL
Common Name English
DU-1227
Code English
1-((2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL)-L-PROLYL-L-PHENYLALANINE
Systematic Name English
L-PHENYLALANINE, 1-((2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL)-L-PROLYL-
Systematic Name English
Code System Code Type Description
FDA UNII
B6B1RRA3XL
Created by admin on Sat Dec 16 14:08:13 UTC 2023 , Edited by admin on Sat Dec 16 14:08:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID30225264
Created by admin on Sat Dec 16 14:08:13 UTC 2023 , Edited by admin on Sat Dec 16 14:08:13 UTC 2023
PRIMARY
PUBCHEM
156284
Created by admin on Sat Dec 16 14:08:13 UTC 2023 , Edited by admin on Sat Dec 16 14:08:13 UTC 2023
PRIMARY
CAS
74259-08-8
Created by admin on Sat Dec 16 14:08:13 UTC 2023 , Edited by admin on Sat Dec 16 14:08:13 UTC 2023
PRIMARY
Related Record Type Details
TARGET->WEAK INHIBITOR
Related Record Type Details
PARENT -> METABOLITE