(2S,4R)-N-Tert-Butyl-1-[(2R,3S)-3-[[2-(2,6-Dimethylphenoxy)Acetyl]Amino]-2-Hydroxy-4-Phenylbutyl]-4-Pyridin-4-Ylsulfanylpiperidine-2-Carboxamide
[CAS# 154612-58-5]

Identification

• Name: (2S,4R)-N-Tert-Butyl-1-[(2R,3S)-3-[[2-(2,6-Dimethylphenoxy)Acetyl]Amino]-2-Hydroxy-4-Phenylbutyl]-4-Pyridin-4-Ylsulfanylpiperidine-2-Carboxamide
• Synonyms: (2S,4R)-N-Tert-Butyl-1-[(2R,3S)-3-[[2-(2,6-Dimethylphenoxy)Acetyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-4-(4-Pyridylsulfanyl)Piperidine-2-Carboxamide; (2S,4R)-N-Tert-Butyl-1-[(2R,3S)-3-[[2-(2,6-Dimethylphenoxy)-1-Oxoethyl]Amino]-2-Hydroxy-4-Phenylbutyl]-4-(4-Pyridylthio)-2-Piperidinecarboxamide; (2S,4R)-N-Tert-Butyl-1-[(2R,3S)-3-[[2-(2,6-Dimethylphenoxy)Acetyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-4-(4-Pyridylthio)Pipecolinamide
• Molecular Formula: C₃₅H₄₆N₄O₄S
• Molecular Weight: 618.83
• CAS Registry Number: 154612-58-5
• SMILES: [C@@H]4(N(C[C@@H](O)[C@@H](NC(=O)COC1=C(C=CC=C1C)C)CC2=CC=CC=C2)CC[C@@H](SC3=CC=NC=C3)C4)C(=O)NC(C)(C)C
• InChI: 1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1
• InChIKey: WVPSCZBMYQIZMS-QNRWOPMTSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 858.719°C at 760 mmHg (Cal.)
• Flash point: 473.137°C (Cal.)