3?-Hydroxy Darunavir

Analyte Name

3'-Hydroxy Darunavir

CAS Number

1159613-24-7

Molecular Formula

C27 H37 N3 O8 S

Molecular Weight

563.66

Accurate Mass

563.2301

SMILES

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)c(O)c4

InChI

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

IUPAC

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-amino-3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat