4-Amino-N-((2R,3R)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide-d9 Bis(2,2,2-trifluoroacetate)

Analyte Name

4-Amino-N-((2R,3R)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide-d9 Bis(2,2,2-trifluoroacetate)

CAS Number

2714414-15-8

Molecular Formula

C24H22D9F6N3O7S

Molecular Weight

628.63

Accurate Mass

628.24

SMILES

NC1=CC=C(S(N(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C[C@@H](O)[C@H](N)CC2=CC=CC=C2)(=O)=O)C=C1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C20H29N3O3S.2C2HF3O2/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16;2*3-2(4,5)1(6)7/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3;2*(H,6,7)/t19-,20-;;/m1../s1/i1D3,2D3,13D2,15D;;

IUPAC

4-amino-N-((2R,3R)-3-amino-2-hydroxy-4-phenylbutyl)-N-(2-(methyl-d3)propyl-1,1,2,3,3,3-d6)benzenesulfonamide bis(2,2,2-trifluoroacetate)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat