DARUNAVIR, (2S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H37N3O7S
Molecular Weight	547.664
Optical Activity	( - )
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=CC=C3)[C@@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C(N)C=C4

InChI

InChIKey=CJBJHOAVZSMMDJ-WBAQKLHDSA-N

InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H37N3O7S
Molecular Weight	547.664
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 17:26:38 GMT 2023` Edited by `admin` on `Sat Dec 16 17:26:38 GMT 2023`
Record UNII	M3D7B080E6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DARUNAVIR, (2S)-

Common Name

English

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

Systematic Name

English

TMC-96606

Code

English

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

Systematic Name

English

(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((2S,3S)-4-((4-AMINO-N-ISOBUTYLPHENYL)SULFONAMIDO)-3-HYDROXY-1-PHENYLBUTAN-2-YL)CARBAMATE

Systematic Name

English

Code System Code Type Description

CAS

850141-19-4

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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FDA UNII

M3D7B080E6

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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PUBCHEM

52949690

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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