BRECANAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H41N3O10S2
Molecular Weight	703.823
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC3=CC=C(OCC4=CSC(C)=N4)C=C3)[C@H](O)CN(CC(C)C)S(=O)(=O)C5=CC=C6OCOC6=C5

InChI

InChIKey=JORVRJNILJXMMG-OLNQLETPSA-N

InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H41N3O10S2
Molecular Weight	703.823
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:08:48 UTC 2023` Edited by `admin` on `Fri Dec 15 16:08:48 UTC 2023`
Record UNII	E367I8C7FI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRECANAVIR

Official Name

English

GW64085X

Code

English

BRECANAVIR [USAN]

Common Name

English

GW-640385

Code

English

GW-640385X

Code

English

GW640385

Code

English

Brecanavir [WHO-DD]

Common Name

English

brecanavir [INN]

Common Name

English

(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL((1S,2R)-3-((1,3,BENZODIOXOL-5-YLSULFONYL)2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(4-((2-METHYLTHIOZOL-5-YL)METHOXY)BENZYL)PROPYL)CARBAMATE

Common Name

English

CARBAMIC ACID, ((1S,2R)-3-((1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-((2-METHYL-4-THIAZOLYL)METHOXY)PHENYL)METHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Common Name

English

GW-64085X

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C97366