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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H45N3O6S
Molecular Weight 599.781
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELFINAVIR SULFONE

SMILES

[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CS(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC(O)=C4C)[C@@H](C2)C(=O)NC(C)(C)C

InChI

InChIKey=CKCOHFQEUWGPMO-HKWSIXNMSA-N
InChI=1S/C32H45N3O6S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-42(40,41)24-13-6-5-7-14-24)29(37)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
NELFINAVIR SULFONE
Common Name English
(3S,4AS,8AS)-N-TERT-BUTYL-2-((2R,3R)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZAMIDO)-4-(PHENYLSULFONYL)BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
Common Name English
3-ISOQUINOLINECARBOXAMIDE, N-(1,1-DIMETHYLETHYL)DECAHYDRO-2-((2R,3R)-2-HYDROXY-3-((3-HYDROXY-2-METHYLBENZOYL)AMINO)-4-(PHENYLSULFONYL)BUTYL)-, (3S,4AS,8AS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10858170
Created by admin on Sat Dec 16 10:08:59 GMT 2023 , Edited by admin on Sat Dec 16 10:08:59 GMT 2023
PRIMARY
PUBCHEM
71750981
Created by admin on Sat Dec 16 10:08:59 GMT 2023 , Edited by admin on Sat Dec 16 10:08:59 GMT 2023
PRIMARY
FDA UNII
B2KT5PA969
Created by admin on Sat Dec 16 10:08:59 GMT 2023 , Edited by admin on Sat Dec 16 10:08:59 GMT 2023
PRIMARY
CAS
1041389-29-0
Created by admin on Sat Dec 16 10:08:59 GMT 2023 , Edited by admin on Sat Dec 16 10:08:59 GMT 2023
PRIMARY