分析物名称

(S,R)-Eluxadoline Hydrochloride

分子式

C32H35N5O5 • 2(HCl)

分子量

642.57

精确质量测定

641.22

SMILES

O=C([C@@H](N)CC1=C(C=C(C=C1C)C(N)=O)C)N(CC2=CC(C(O)=O)=C(OC)C=C2)[C@@H](C3=NC=C(C4=CC=CC=C4)N3)C.Cl.Cl

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+;;/m1../s1

IUPAC

5-(((S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoic acid dihydrochloride

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat