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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H50N4O6S
Molecular Weight 630.838
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REMIKIREN

SMILES

CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C4CC4

InChI

InChIKey=UXIGZRQVLGFTOU-VQXQMPIVSA-N
InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H50N4O6S
Molecular Weight 630.838
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:02:27 UTC 2023
Edited
by admin
on Fri Dec 15 16:02:27 UTC 2023
Record UNII
LC7FBL96A4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REMIKIREN
INN   MART.   WHO-DD  
INN   USAN  
Official Name English
1H-Imidazole-5-propanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-, (αS)-
Systematic Name English
remikiren [INN]
Common Name English
REMIKIREN [MART.]
Common Name English
Remikiren [WHO-DD]
Common Name English
(αS)-N-[(1S,2R,3S)-1-(Cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[(1,1-dimethylethyl)sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-1H-imidazole-5-propanamide
Systematic Name English
RO-42-5892
Code English
REMIKIREN [USAN]
Common Name English
RO 42-5892
Code English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
WHO-VATC QC09XA01
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
WHO-ATC C09XA01
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
NCI_THESAURUS C270
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
Code System Code Type Description
PUBCHEM
6324659
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
FDA UNII
LC7FBL96A4
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
SMS_ID
100000080825
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
USAN
FF-2
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
DRUG BANK
DB00212
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID60155121
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
CHEBI
8803
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
INN
6876
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
EVMPD
SUB10273MIG
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
NCI_THESAURUS
C73099
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
WIKIPEDIA
REMIKIREN
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
ChEMBL
CHEMBL31601
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
CAS
126222-34-2
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
DRUG CENTRAL
4696
Created by admin on Fri Dec 15 16:02:27 UTC 2023 , Edited by admin on Fri Dec 15 16:02:27 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY