N'-(4-Chlorophenyl)Sulfonyl-N-[(2S)-1-[[2-[2,3-Dihydro-1H-Inden-2-Yl-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxopentan-3-Yl]Amino]Acetyl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Benzene-1,4-Dicarboxamide
[CAS# 129585-37-1]

Identification

• Name: N'-(4-Chlorophenyl)Sulfonyl-N-[(2S)-1-[[2-[2,3-Dihydro-1H-Inden-2-Yl-[(3S)-1,1,1-Trifluoro-4-Methyl-2-Oxopentan-3-Yl]Amino]Acetyl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Benzene-1,4-Dicarboxamide
• Synonyms: N'-(4-Chlorophenyl)Sulfonyl-N-[(1S)-1-[[2-[Indan-2-Yl-[(1S)-3,3,3-Trifluoro-1-Isopropyl-2-Oxo-Propyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Terephthalamide; N'-(4-Chlorophenyl)Sulfonyl-N-[(1S)-1-[[[2-[2-Indanyl-[(1S)-3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl]Amino]-1-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Terephthalamide; N'-(4-Chlorophenyl)Sulfonyl-N-[(1S)-1-[[2-[Indan-2-Yl-[(1S)-3,3,3-Trifluoro-1-Isopropyl-2-Keto-Propyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Terephthalamide
• Molecular Formula: C₃₆H₃₈ClF₃N₄O₇S
• Molecular Weight: 763.23
• CAS Registry Number: 129585-37-1
• SMILES: [C@@H](N(C1CC2=C(C1)C=CC=C2)CC(=O)NC(=O)[C@@H](NC(=O)C4=CC=C(C(=O)N[S](=O)(=O)C3=CC=C(Cl)C=C3)C=C4)C(C)C)(C(=O)C(F)(F)F)C(C)C
• InChI: 1S/C36H38ClF3N4O7S/c1-20(2)30(42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28)35(49)41-29(45)19-44(31(21(3)4)32(46)36(38,39)40)27-17-24-7-5-6-8-25(24)18-27/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,42,47)(H,43,48)(H,41,45,49)/t30-,31-/m0/s1
• InChIKey: KMUDHYJPILFGSS-CONSDPRKSA-N

Properties

• Density: 1.41g/cm³ (Cal.)