((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-HYDROXYPHENYL)METHYL)PROPYL)CARBAMIC ACID (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H37N3O8S
Molecular Weight	563.663
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-HYDROXYPHENYL)METHYL)PROPYL)CARBAMIC ACID (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Structure Search

SMILES

[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC3=CC=C(O)C=C3)[C@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C(N)C=C4

InChI

InChIKey=SNQVQNQWAPHMDK-HEXNFIEUSA-N

InChI=1S/C27H37N3O8S/c1-17(2)14-30(39(34,35)21-9-5-19(28)6-10-21)15-24(32)23(13-18-3-7-20(31)8-4-18)29-27(33)38-25-16-37-26-22(25)11-12-36-26/h3-10,17,22-26,31-32H,11-16,28H2,1-2H3,(H,29,33)/t22-,23-,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H37N3O8S
Molecular Weight	563.663
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 `Sat Dec 16 14:53:32 GMT 2023` Edited by `admin` on `Sat Dec 16 14:53:32 GMT 2023`
Record UNII	3Q845QZT4W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-HYDROXYPHENYL)METHYL)PROPYL)CARBAMIC ACID (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

DARUNAVIR METABOLITE M33

Common Name

English

R330689

Code

English

CARBAMIC ACID, N-((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-HYDROXYPHENYL)METHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

CARBAMIC ACID, ((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-HYDROXYPHENYL)METHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

R-330689

Code

English

Code System Code Type Description

PUBCHEM

16729878

Created by admin on Sat Dec 16 14:53:33 GMT 2023 , Edited by admin on Sat Dec 16 14:53:33 GMT 2023

PRIMARY

FDA UNII

3Q845QZT4W

Created by admin on Sat Dec 16 14:53:33 GMT 2023 , Edited by admin on Sat Dec 16 14:53:33 GMT 2023

PRIMARY

CAS

313682-97-2

Created by admin on Sat Dec 16 14:53:33 GMT 2023 , Edited by admin on Sat Dec 16 14:53:33 GMT 2023

PRIMARY

Related Record Type Details


					YO603Y8113

DARUNAVIR

PARENT -> METABOLITE

Qualification:

FECAL