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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H45N3O5S
Molecular Weight 583.782
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nelfinavir Hydroxy-tert-butylamide

SMILES

CC1=C(O)C=CC=C1C(=O)N[C@@H](CSC2=CC=CC=C2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO

InChI

InChIKey=SLEPDNKZXLVSOH-HKWSIXNMSA-N
InChI=1S/C32H45N3O5S/c1-21-25(14-9-15-28(21)37)30(39)33-26(19-41-24-12-5-4-6-13-24)29(38)18-35-17-23-11-8-7-10-22(23)16-27(35)31(40)34-32(2,3)20-36/h4-6,9,12-15,22-23,26-27,29,36-38H,7-8,10-11,16-20H2,1-3H3,(H,33,39)(H,34,40)/t22-,23+,26-,27-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Nelfinavir Hydroxy-tert-butylamide
Common Name English
AG 1402
Preferred Name English
(3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide
Systematic Name English
3-Isoquinolinecarboxamide, decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)
Systematic Name English
M 8
Common Name English
Code System Code Type Description
PUBCHEM
475066
Created by admin on Wed Apr 02 17:17:24 GMT 2025 , Edited by admin on Wed Apr 02 17:17:24 GMT 2025
PRIMARY
CAS
213135-56-9
Created by admin on Wed Apr 02 17:17:24 GMT 2025 , Edited by admin on Wed Apr 02 17:17:24 GMT 2025
PRIMARY
FDA UNII
8SJ9CB28K9
Created by admin on Wed Apr 02 17:17:24 GMT 2025 , Edited by admin on Wed Apr 02 17:17:24 GMT 2025
PRIMARY