Catalog Number:
AG008UZZ
Chemical Name:
1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE
CAS Number:
107047-27-8
Molecular Formula:
C40H50N8O3S
Molecular Weight:
722.9418
MDL Number:
MFCD00308850
IUPAC Name:
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
InChI:
InChI=1S/C40H50N8O3S/c1-7-39(3,4)28-18-23-33(32(27-28)40(5,6)8-2)51-26-14-17-34(49)41-29-19-21-31(22-20-29)47-37(50)35(36(43-47)46-24-12-13-25-46)52-38-42-44-45-48(38)30-15-10-9-11-16-30/h9-11,15-16,18-23,27,35H,7-8,12-14,17,24-26H2,1-6H3,(H,41,49)
InChI Key:
LTSDWZTVMYZZLM-UHFFFAOYSA-N
SMILES:
CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(cc1)N1N=C(C(C1=O)Sc1nnnn1c1ccccc1)N1CCCC1)C(CC)(C)C)(C)C
