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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H45N3O4S
Molecular Weight 567.782
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-TERT-BUTYL-2-((2S,3S)-3-HYDROXY-2-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-4-PHENYLSULFANYLBUTYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE, (3S,4AS,8AS)-

SMILES

[H][C@@]12CCCC[C@]1([H])CN(C[C@H](NC(=O)C3=CC=CC(O)=C3C)[C@H](O)CSC4=CC=CC=C4)[C@@H](C2)C(=O)NC(C)(C)C

InChI

InChIKey=XPQQDGNKFCKUCW-HKWSIXNMSA-N
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(29(37)20-40-24-13-6-5-7-14-24)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-TERT-BUTYL-2-((2S,3S)-3-HYDROXY-2-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-4-PHENYLSULFANYLBUTYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE, (3S,4AS,8AS)-
Systematic Name English
3-ISOQUINOLINECARBOXAMIDE, N-(1,1-DIMETHYLETHYL)DECAHYDRO-2-((2S,3S)-3-HYDROXY-2-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-4-(PHENYLTHIO)BUTYL)-, (3S,4AS,8AS)-
Systematic Name English
NELFINAVIR REGEOISOMER (IMPURITY D)
Common Name English
(3S,4AS,8AS)-N-TERT-BUTYL-2-((2S,3S)-3-HYDROXY-2-(3-HYDROXY-2-METHYLBENZOYLAMINO)-4-(PHENYLTHIO)BUTYL)-DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
Common Name English
Code System Code Type Description
CAS
1025935-06-1
Created by admin on Sat Dec 16 18:21:39 GMT 2023 , Edited by admin on Sat Dec 16 18:21:39 GMT 2023
PRIMARY
FDA UNII
XR9F9UWP44
Created by admin on Sat Dec 16 18:21:39 GMT 2023 , Edited by admin on Sat Dec 16 18:21:39 GMT 2023
PRIMARY
PUBCHEM
10531054
Created by admin on Sat Dec 16 18:21:39 GMT 2023 , Edited by admin on Sat Dec 16 18:21:39 GMT 2023
PRIMARY