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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 R-330326

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(O)=C(N)C=C4

InChI

InChIKey=JHSMVOSDDWDUEW-QSDJZFCLSA-N
InChI=1S/C27H37N3O8S/c1-17(2)14-30(39(34,35)19-8-9-21(28)23(31)13-19)15-24(32)22(12-18-6-4-3-5-7-18)29-27(33)38-25-16-37-26-20(25)10-11-36-26/h3-9,13,17,20,22,24-26,31-32H,10-12,14-16,28H2,1-2H3,(H,29,33)/t20-,22-,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
R-330326
Code English
DARUNAVIR METABOLITE M29
Common Name English
CARBAMIC ACID, N-((1S,2R)-3-(((4-AMINO-3-HYDROXYPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER
Systematic Name English
R330326
Code English
Code System Code Type Description
PUBCHEM
129627311
Created by admin on Sat Dec 16 14:53:32 GMT 2023 , Edited by admin on Sat Dec 16 14:53:32 GMT 2023
PRIMARY
CAS
1159613-24-7
Created by admin on Sat Dec 16 14:53:32 GMT 2023 , Edited by admin on Sat Dec 16 14:53:32 GMT 2023
PRIMARY
FDA UNII
PBF42439XY
Created by admin on Sat Dec 16 14:53:32 GMT 2023 , Edited by admin on Sat Dec 16 14:53:32 GMT 2023
PRIMARY