DARUNAVIR DICARBAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H45N3O11S
Molecular Weight	703.8
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
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(NC(=O)O[C@H]5CO[C@@]6([H])OCC[C@@]56[H])C=C4

InChI

InChIKey=QAEABAUOBFKJOZ-KDWZEFHUSA-N

InChI=1S/C34H45N3O11S/c1-21(2)17-37(49(41,42)24-10-8-23(9-11-24)35-33(39)47-29-19-45-31-25(29)12-14-43-31)18-28(38)27(16-22-6-4-3-5-7-22)36-34(40)48-30-20-46-32-26(30)13-15-44-32/h3-11,21,25-32,38H,12-20H2,1-2H3,(H,35,39)(H,36,40)/t25-,26-,27-,28+,29-,30-,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H45N3O11S
Molecular Weight	703.8
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:06:06 GMT 2023` Edited by `admin` on `Sat Dec 16 11:06:06 GMT 2023`
Record UNII	AHN8P4VYZ7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DARUNAVIR DICARBAMATE

Common Name

English

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

Systematic Name

English

(3R,3aS,6aS)-Hexahydrofuro[2,3-b]furan-3-yl N-[4-[[[(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]phenyl]carbamate

Systematic Name

English

Carbamic acid, N-[4-[[[(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]phenyl]-, (3R,3aS,6aS)-hexahydrofuro[2,3-b]furan-3-yl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

AHN8P4VYZ7

Created by admin on Sat Dec 16 11:06:06 GMT 2023 , Edited by admin on Sat Dec 16 11:06:06 GMT 2023

PRIMARY

PUBCHEM

122206338

Created by admin on Sat Dec 16 11:06:06 GMT 2023 , Edited by admin on Sat Dec 16 11:06:06 GMT 2023

PRIMARY

CAS

1971057-59-6

Created by admin on Sat Dec 16 11:06:06 GMT 2023 , Edited by admin on Sat Dec 16 11:06:06 GMT 2023

PRIMARY

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