(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

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

Structure Search

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

Approval Year

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 Sat Dec 16 16:08:19 GMT 2023 , Edited by admin on Sat Dec 16 16:08:19 GMT 2023

PRIMARY

FDA UNII

UJ27RVG4TL