Eluxadoline-13C,d3 Dihydrochloride

Product Specifications

Synonyms

5-[[[(2S)-2-Amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic Acid13C,d3 Hydrochloride; MuDelta13C,d3

Hazard Statement

No Data Available

Smiles

O=C(O)C1=CC(CN(C([C@@H](N)CC2=C(C)C=C(C(N)=O)C=C2C)=O)[C@H](C3=NC=C(C4=CC=CC=C4)N3)C)=CC=C1O[13C]([2H])([2H])[2H].Cl.Cl

Molecular Formula

C31¹³CH34D3Cl2N5O5

Molecular Weight

646.59

InChI

InChI=1S/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H/t20?,26-;;/m0../s1/i4+1D3;;

Additionnal Information

IUPAC name: 5-(((S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-(methoxy-13C-d3)benzoic acid dihydrochloride