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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43N3O5S
Molecular Weight 569.755
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4AS,8AS)-2-((2R,3R)-2-HYDROXY-3-((3-HYDROXY-2-METHYL-BENZOYL)AMINO)-4-PHENYLSULFANYL-BUTYL)-N-(1-HYDROXY-1-METHYL-ETHYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE

SMILES

[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC3=CC=CC=C3)NC(=O)C4=C(C)C(O)=CC=C4)[C@@H](C2)C(=O)NC(C)(C)O

InChI

InChIKey=GZORCHFDXGOBQK-HPHCTBIGSA-N
InChI=1S/C31H43N3O5S/c1-20-24(14-9-15-27(20)35)29(37)32-25(19-40-23-12-5-4-6-13-23)28(36)18-34-17-22-11-8-7-10-21(22)16-26(34)30(38)33-31(2,3)39/h4-6,9,12-15,21-22,25-26,28,35-36,39H,7-8,10-11,16-19H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+,25-,26-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H43N3O5S
Molecular Weight 569.755
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 Thu Jul 06 21:39:20 UTC 2023
Edited
by admin
on Thu Jul 06 21:39:20 UTC 2023
Record UNII
UJ27RVG4TL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,4AS,8AS)-2-((2R,3R)-2-HYDROXY-3-((3-HYDROXY-2-METHYL-BENZOYL)AMINO)-4-PHENYLSULFANYL-BUTYL)-N-(1-HYDROXY-1-METHYL-ETHYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE
Systematic Name English
NELFINAVIR METABOLITE M8
Common Name English
Code System Code Type Description
PUBCHEM
71496413
Created by admin on Thu Jul 06 21:39:20 UTC 2023 , Edited by admin on Thu Jul 06 21:39:20 UTC 2023
PRIMARY
FDA UNII
UJ27RVG4TL
Created by admin on Thu Jul 06 21:39:20 UTC 2023 , Edited by admin on Thu Jul 06 21:39:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PLASMA