Analyte Name

(2S,3S,5S)-5-Amino-1,6-diphenyl-2-([(thiazol-5-ylmethoxy)carbonyl]amino)hexan-3-yl 2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoate Hydrochloride

CAS Number

959315-21-0

Molecular Formula

C37H48N6O5S2•xHCl

Molecular Weight

720.94

Accurate Mass

720.3128

SMILES

O=C(N[C@@H](CC1=CC=CC=C1)C(OC(C(C(C)C)NC(N(C)CC2=CSC(C(C)C)=N2)=O)=O)C[C@@H](CC3=CC=CC=C3)N)OCC4=CN=CS4

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(45)43(5)20-29-22-49-34(40-29)25(3)4)35(44)48-32(18-28(38)16-26-12-8-6-9-13-26)31(17-27-14-10-7-11-15-27)41-37(46)47-21-30-19-39-23-50-30/h6-15,19,22-25,28,31-33H,16-18,20-21,38H2,1-5H3,(H,41,46)(H,42,45)/t28-,31-,32-,33-/m0/s1

IUPAC

[(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate

Alternate CAS Number

Free base: 959315-21-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Ritonavir

Purity

>95% (HPLC)