Product Code

TRC-B279072

CAS Number

1146967-62-5

Product Format

Neat

Molecular Formula

C25H26D9N3O7S

Molecular Weight

530.68

Product Categories

TRC, Anti-HIV agents, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

191226-98-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-d9-[(4-nitrophenyl)sulfonyl]amino]propyl]carbamic Acid tert-Butyl Ester

CAS Number

1146967-62-5

Molecular Formula

C25H26D9N3O7S

Molecular Weight

530.68

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1/i1D3,2D3,16D2,18D

IUPAC

tert-butyl N-[(2S,3R)-4-[[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-(4-nitrophenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Unlabelled CAS Number

191226-98-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

An intermediate in the synthesis of labelled Amprenavir, a selective HIV protease inhibitor.

References: Dorsey, B., et al.: J. Med. Chem., 37, 3443

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[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-d9-[(4-nitrophenyl)sulfonyl]amino]propyl]carbamic Acid tert-Butyl Ester

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