N-Acetyl darunavir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H39N3O8S
Molecular Weight	589.7
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)C4=CC=C(NC(C)=O)C=C4

InChI

InChIKey=TZLDMWOGBDDVMA-AJIIGFCHSA-N

InChI=1S/C29H39N3O8S/c1-19(2)16-32(41(36,37)23-11-9-22(10-12-23)30-20(3)33)17-26(34)25(15-21-7-5-4-6-8-21)31-29(35)40-27-18-39-28-24(27)13-14-38-28/h4-12,19,24-28,34H,13-18H2,1-3H3,(H,30,33)(H,31,35)/t24-,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H39N3O8S
Molecular Weight	589.7
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 `Wed Apr 02 20:21:15 GMT 2025` Edited by `admin` on `Wed Apr 02 20:21:15 GMT 2025`
Record UNII	4RC348NR88
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[[4-(acetylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate

Preferred Name

English

N-Acetyl darunavir

Common Name

English

Carbamic acid, N-[(1S,2R)-3-[[[4-(acetylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

4RC348NR88

Created by admin on Wed Apr 02 20:21:15 GMT 2025 , Edited by admin on Wed Apr 02 20:21:15 GMT 2025

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CAS

1546919-11-2

Created by admin on Wed Apr 02 20:21:15 GMT 2025 , Edited by admin on Wed Apr 02 20:21:15 GMT 2025

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PUBCHEM

138631407

Created by admin on Wed Apr 02 20:21:15 GMT 2025 , Edited by admin on Wed Apr 02 20:21:15 GMT 2025

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