Catalog Number:
AG000T18
Chemical Name:
Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfonyl]methyl]-
CAS Number:
1266620-74-9
Molecular Formula:
C35H36ClNO5S
Molecular Weight:
618.1820
IUPAC Name:
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfonylmethyl]cyclopropyl]acetic acid
InChI:
InChI=1S/C35H36ClNO5S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(43(41,42)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
InChI Key:
SSYLIWVHJBIYCX-TZIWLTJVSA-N
SMILES:
OC(=O)CC1(CC1)CS(=O)(=O)[C@@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)CCc1ccccc1C(O)(C)C