(3S,4AS,8AS)-N-TERT-BUTYL-2-((2R,3R)-2-HYDROXY-3-((4-HYDROXY-2,3-DIMETHYL-BENZOYL)AMINO)-4-PHENYLSULFANYL-BUTYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H47N3O4S
Molecular Weight	581.809
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S,4AS,8AS)-N-TERT-BUTYL-2-((2R,3R)-2-HYDROXY-3-((4-HYDROXY-2,3-DIMETHYL-BENZOYL)AMINO)-4-PHENYLSULFANYL-BUTYL)-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(C)=C(O)C=C4)[C@@H](C2)C(=O)NC(C)(C)C

InChI

InChIKey=ARNXLXGEOAIMSQ-XJHWPUGTSA-N

InChI=1S/C33H47N3O4S/c1-21-22(2)29(37)16-15-26(21)31(39)34-27(20-41-25-13-7-6-8-14-25)30(38)19-36-18-24-12-10-9-11-23(24)17-28(36)32(40)35-33(3,4)5/h6-8,13-16,23-24,27-28,30,37-38H,9-12,17-20H2,1-5H3,(H,34,39)(H,35,40)/t23-,24+,27-,28-,30+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3S,4AS,8AS)-N-TERT-BUTYL-2-((2R,3R)-2-HYDROXY-3-((4-HYDROXY-2,3-DIMETHYL-BENZOYL)AMINO)-4-PHENYLSULFANYL-BUTYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLINE-3-CARBOXAMIDE

Systematic Name

English

NELFINAVIR METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

156613723

Created by admin on Sat Dec 16 16:32:59 GMT 2023 , Edited by admin on Sat Dec 16 16:32:59 GMT 2023

PRIMARY

FDA UNII

547JJ86QRD