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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37N3O7S
Molecular Weight 547.664
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARUNAVIR, (3S,3AR,6AS)-

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-OAQXCZEZSA-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+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DARUNAVIR, (3S,3AR,6AS)-
Common Name English
CARBAMIC ACID, N-((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3S,3AR,6AS)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER
Systematic Name English
(3S,3AR,6AS)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((2S,3R)-4-((4-AMINO-N-ISOBUTYLPHENYL)SULFONAMIDO)-3-HYDROXY-1-PHENYLBUTAN-2-YL)CARBAMATE
Systematic Name English
Code System Code Type Description
CAS
799241-73-9
Created by admin on Sat Dec 16 19:07:35 GMT 2023 , Edited by admin on Sat Dec 16 19:07:35 GMT 2023
PRIMARY
PUBCHEM
6320435
Created by admin on Sat Dec 16 19:07:35 GMT 2023 , Edited by admin on Sat Dec 16 19:07:35 GMT 2023
PRIMARY
FDA UNII
RGW6L7U5XX
Created by admin on Sat Dec 16 19:07:35 GMT 2023 , Edited by admin on Sat Dec 16 19:07:35 GMT 2023
PRIMARY