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Product Code

TRC-M407330

Product Format

Neat

Molecular Formula

C28H39N3O7S

Molecular Weight

561.69

Product Categories

TRC

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Methyl Darunavir

Molecular Formula

C28H39N3O7S

Molecular Weight

561.69

Accurate Mass

561.25

SMILES

O=C(O[C@]1(CO[C@@]2([C@]1(CCO2)[H])[H])[H])N[C@H]([C@@H](CN(S(C3=CC=C(C=C3)NC)(=O)=O)CC(C)C)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O7S/c1-19(2)16-31(39(34,35)22-11-9-21(29-3)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,29,32H,13-18H2,1-3H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1

IUPAC

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-(methylamino)phenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

Product Data

Country of Origin

CANADA

Product Format

Neat

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