[(2R,3R)-1,1-Dioxo-2-Propan-2-Ylthiolan-3-Yl] N-[(2S,3R)-4-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(2-Chloro-6-Methylpyridin-4-Yl)Methyl]Piperazin-1-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl]Carbamate
[CAS# 159565-70-5]

Identification

• Name: [(2R,3R)-1,1-Dioxo-2-Propan-2-Ylthiolan-3-Yl] N-[(2S,3R)-4-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(2-Chloro-6-Methylpyridin-4-Yl)Methyl]Piperazin-1-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl]Carbamate
• Synonyms: [(2R,3R)-2-Isopropyl-1,1-Dioxo-Thiolan-3-Yl] N-[(1S,2R)-3-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(2-Chloro-6-Methyl-4-Pyridyl)Methyl]Piperazin-1-Yl]-2-Hydroxy-1-(Phenylmethyl)Propyl]Carbamate; N-[(1S,2R)-3-[(2S)-2-[(Tert-Butylamino)-Oxomethyl]-4-[(2-Chloro-6-Methyl-4-Pyridyl)Methyl]-1-Piperazinyl]-2-Hydroxy-1-(Phenylmethyl)Propyl]Carbamic Acid [(2R,3R)-2-Isopropyl-1,1-Dioxo-3-Thiolanyl] Ester; N-[(1S,2R)-1-(Benzyl)-3-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(2-Chloro-6-Methyl-4-Pyridyl)Methyl]Piperazin-1-Yl]-2-Hydroxy-Propyl]Carbamic Acid [(2R,3R)-2-Isopropyl-1,1-Diketo-Thiolan-3-Yl] Ester
• Molecular Formula: C₃₄H₅₀ClN₅O₆S
• Molecular Weight: 692.31
• CAS Registry Number: 159565-70-5
• SMILES: [C@@H]1([S](=O)(=O)CC[C@H]1OC(=O)N[C@H]([C@H](O)CN2[C@H](C(=O)NC(C)(C)C)CN(CC2)CC3=CC(=NC(=C3)C)Cl)CC4=CC=CC=C4)C(C)C
• InChI: 1S/C34H50ClN5O6S/c1-22(2)31-29(12-15-47(31,44)45)46-33(43)37-26(17-24-10-8-7-9-11-24)28(41)21-40-14-13-39(19-25-16-23(3)36-30(35)18-25)20-27(40)32(42)38-34(4,5)6/h7-11,16,18,22,26-29,31,41H,12-15,17,19-21H2,1-6H3,(H,37,43)(H,38,42)/t26-,27-,28+,29+,31+/m0/s1
• InChIKey: VSPVBJSAOGVXFP-STSTVOBVSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 885.606°C at 760 mmHg (Cal.)
• Flash point: 489.397°C (Cal.)