N-[5-[[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-1-Oxobutyl]Amino]-2-Chlorophenyl]-4,4-Dimethyl-3-Oxo-2-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Valeramide
[CAS# 51599-32-7]

Identification

• Name: N-[5-[[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-1-Oxobutyl]Amino]-2-Chlorophenyl]-4,4-Dimethyl-3-Oxo-2-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Valeramide
• Synonyms: N-[5-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butanoylamino]-2-Chloro-Phenyl]-4,4-Dimethyl-3-Oxo-2-(1-Phenyltetrazol-5-Yl)Sulfanyl-Pentanamide; N-[5-[[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-1-Oxobutyl]Amino]-2-Chlorophenyl]-4,4-Dimethyl-3-Oxo-2-[(1-Phenyl-5-Tetrazolyl)Thio]Pentanamide; N-[2-Chloro-5-[4-(2,4-Ditert-Amylphenoxy)Butanoylamino]Phenyl]-3-Keto-4,4-Dimethyl-2-[(1-Phenyltetrazol-5-Yl)Thio]Valeramide
• Molecular Formula: C₄₀H₅₁ClN₆O₄S
• Molecular Weight: 747.39
• CAS Registry Number: 51599-32-7
• EINECS: 257-313-2
• SMILES: C1=C(C(CC)(C)C)C(=CC=C1C(CC)(C)C)OCCCC(=O)NC2=CC=C(Cl)C(=C2)NC(=O)C(SC3=NN=N[N]3C4=CC=CC=C4)C(=O)C(C)(C)C
• InChI: 1S/C40H51ClN6O4S/c1-10-39(6,7)26-19-22-32(29(24-26)40(8,9)11-2)51-23-15-18-33(48)42-27-20-21-30(41)31(25-27)43-36(50)34(35(49)38(3,4)5)52-37-44-45-46-47(37)28-16-13-12-14-17-28/h12-14,16-17,19-22,24-25,34H,10-11,15,18,23H2,1-9H3,(H,42,48)(H,43,50)
• InChIKey: VLJSFMSQZCVLRZ-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)