分析物名称

Bevemipretide-D5 Trihydrochloride Salt

分子式

C31H40D5N9O4.3HCl

分子量

722.16

精确质量测定

720.32

SMILES

CC(C=C(C=C1C)O)=C1C[C@H](NC([C@H](N)CCCNC(N)=N)=O)C(N[C@H](C2=NC(CC3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])=NO2)CCCCN)=O.Cl.Cl.Cl

InChI

InChI=1S/C31H45N9O4.3ClH/c1-19-15-22(41)16-20(2)23(19)18-26(38-28(42)24(33)11-8-14-36-31(34)35)29(43)37-25(12-6-7-13-32)30-39-27(40-44-30)17-21-9-4-3-5-10-21;;;/h3-5,9-10,15-16,24-26,41H,6-8,11-14,17-18,32-33H2,1-2H3,(H,37,43)(H,38,42)(H4,34,35,36);3*1H/t24-,25+,26+;;;/m1.../s1/i3D,4D,5D,9D,10D;;;

IUPAC

(R)-2-amino-N-((S)-1-(((S)-5-amino-1-(3-((phenyl-d5)methyl)-1,2,4-oxadiazol-5-yl)pentyl)amino)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl)-5-guanidinopentanamide trihydrochloride

SIL类型

Deuterium

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat