NELFINAVIR SULFONE

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 Search

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

SUBSTANCE RECORD


					B2KT5PA969

NELFINAVIR SULFONE