UK 370106

Analyte Name

(3R)-3-(((1S)-1-(((1S)-2-methoxy-1-phenyl-ethyl)carbamoyl)-2,2-dimethyl-propyl)carbamoyl)-6-(3-methyl-4-phenyl-phenyl)hexanoic acid

CAS Number

230961-21-4

Molecular Formula

C35 H44 N2 O5

Molecular Weight

572.73426

Accurate Mass

572.325

SMILES

CC1=C(C=CC(CCC[C@@H](C(N[C@H](C(N[C@H](COC)C2=CC=CC=C2)=O)C(C)(C)C)=O)CC(O)=O)=C1)C3=CC=CC=C3

InChI

InChI=1S/C35H44N2O5/c1-24-21-25(19-20-29(24)26-14-8-6-9-15-26)13-12-18-28(22-31(38)39)33(40)37-32(35(2,3)4)34(41)36-30(23-42-5)27-16-10-7-11-17-27/h6-11,14-17,19-21,28,30,32H,12-13,18,22-23H2,1-5H3,(H,36,41)(H,37,40)(H,38,39)/t28-,30-,32-/m1/s1

IUPAC

(3R)-3-[[(1S)-1-[[(1S)-2-methoxy-1-phenyl-ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamoyl]-6-(3-methyl-4-phenyl-phenyl)hexanoic acid

Country of Origin

CANADA

Product Format

Neat