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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

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

Approval Year

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