GS-9005

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H58N3O13PS
Molecular Weight	875.961
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)[C@H](C)OP(=O)(CCNCC1=CC=C(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C(OC)C=C4)C=C1)OC5=CC=CC=C5

InChI

InChIKey=KMCVEQSRKFYOIH-BSRZVIQJSA-N

InChI=1S/C42H58N3O13PS/c1-6-53-40(47)30(4)57-59(49,58-34-10-8-7-9-11-34)23-21-43-25-32-14-12-31(13-15-32)24-37(44-42(48)56-39-28-55-41-36(39)20-22-54-41)38(46)27-45(26-29(2)3)60(50,51)35-18-16-33(52-5)17-19-35/h7-19,29-30,36-39,41,43,46H,6,20-28H2,1-5H3,(H,44,48)/t30-,36-,37-,38+,39-,41+,59?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H58N3O13PS
Molecular Weight	875.961
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:47:15 GMT 2025` Edited by `admin` on `Wed Apr 02 12:47:15 GMT 2025`
Record UNII	EN3S8K4X5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GS-9005

Code

English

ETHYL (2S)-2-(2-((4-((2S,3R)-2-(((3AS,4R,6AR)-2,3,3A,4,5,6A-HEXAHYDROFURO(2,3-B)FURAN-4-YL)OXYCARBONYLAMINO)-3-HYDROXY-4-(ISOBUTYL-(4-METHOXYPHENYL)SULFONYL-AMINO)BUTYL)PHENYL)METHYLAMINO)ETHYL-PHENOXY-PHOSPHORYL)OXYPROPANOATE

Preferred Name

English

GS-4338

Code

English

PROPANOIC ACID, 2-(((2-(((4-((2S,3R)-2-(((((3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-3-HYDROXY-4-(((4-METHOXYPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)BUTYL)PHENYL)METHYL)AMINO)ETHYL)PHENOXYPHOSPHINYL)OXY)-, ETHYL ESTER, (2S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

16729792

Created by admin on Wed Apr 02 12:47:15 GMT 2025 , Edited by admin on Wed Apr 02 12:47:15 GMT 2025

PRIMARY

FDA UNII

EN3S8K4X5U

Created by admin on Wed Apr 02 12:47:15 GMT 2025 , Edited by admin on Wed Apr 02 12:47:15 GMT 2025

PRIMARY

CAS

622867-36-1

Created by admin on Wed Apr 02 12:47:15 GMT 2025 , Edited by admin on Wed Apr 02 12:47:15 GMT 2025

PRIMARY

Related Record Type Details


					EN3S8K4X5U

GS-9005

ACTIVE MOIETY

Comments:

Gilead Sciences, Inc. (Nasdaq:GILD) today announced that it has submitted an investigational new drug (IND) application to the U.S. Food & Drug Administration (FDA) to evaluate GS 9005 (formerly known as GS 4338) as a potential new therapy for HIV. Under this IND, Gilead plans to assess the oral bioavailability, pharmacokinetics, safety and efficacy of GS 9005 in healthy volunteers and HIV positive patients.


					EN3S8K4X5U

GS-9005

ACTIVE MOIETY

Comments:

Class: Antiviral; Mechanism of Action: Peptide hydrolase inhibitor; Highest Development Phase: Discontinued for HIV infections; Most Recent Events: 23 Oct 2004 Discontinued - Phase-I/II for HIV infections treatment in USA (unspecified route), 13 Jul 2004 Phase-I/II clinical trials in HIV infections treatment in USA (unspecified route)