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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H49N5O5
Molecular Weight 703.869
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SRX-246

SMILES

C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N2CCCCC2)N3[C@H](\C=C\C4=CC=CC=C4)[C@H](N5[C@H](COC5=O)C6=CC=CC=C6)C3=O)C7=CC=CC=C7

InChI

InChIKey=FJUKOXWSIGULLE-JVOQCOEYSA-N
InChI=1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H49N5O5
Molecular Weight 703.869
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:02 UTC 2023
Edited
by admin
on Fri Dec 15 16:10:02 UTC 2023
Record UNII
372X2P22UY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SRX-246
Common Name English
.GAMMA.-OXO-.ALPHA.-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-3-OXAZOLIDINYL)-4-((1E)-2-PHENYLETHENYL)-1-AZETIDINYL)-N-((1R)-1-PHENYLETHYL)-(.ALPHA.R)-(1,4'-BIPIPERIDINE)-1'-BUTANAMIDE
Common Name English
(1,4'-BIPIPERIDINE)-1'-BUTANAMIDE, .GAMMA.-OXO-.ALPHA.-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-3-OXAZOLIDINYL)-4-((1E)-2-PHENYLETHENYL)-1-AZETIDINYL)-N-((1R)-1-PHENYLETHYL)-, (.ALPHA.R)-
Systematic Name English
(.ALPHA.R)-.GAMMA.-OXO-.ALPHA.-((3S,4R)-2-OXO-3-((4S)-2-OXO-4-PHENYL-3-OXAZOLIDINYL)-4-((1E)-2-PHENYLETHENYL)-1-AZETIDINYL)-N-((1R)-1-PHENYLETHYL)(1,4'-BIPIPERIDINE)-1'-BUTANAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 532016
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
Code System Code Type Description
WIKIPEDIA
SRX-246
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
PUBCHEM
44428550
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID701032257
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
CAS
512784-93-9
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
ChEMBL
CHEMBL244243
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
FDA UNII
372X2P22UY
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
NSC
745596
Created by admin on Fri Dec 15 16:10:02 UTC 2023 , Edited by admin on Fri Dec 15 16:10:02 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR