[(2R,3R)-1,1-Dioxo-2-Propan-2-Ylthiolan-3-Yl] N-[(2S,3R)-4-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(3-Hydroxyphenyl)Methyl]Piperazin-1-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl]Carbamate
[CAS# 159565-69-2]

Identification

• Name: [(2R,3R)-1,1-Dioxo-2-Propan-2-Ylthiolan-3-Yl] N-[(2S,3R)-4-[(2S)-2-(Tert-Butylcarbamoyl)-4-[(3-Hydroxyphenyl)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-[(3-Hydroxyphenyl)Methyl]Piperazin-1-Yl]-2-Hydroxy-1-(Phenylmethyl)Propyl]Carbamate; N-[(1S,2R)-3-[(2S)-2-[(Tert-Butylamino)-Oxomethyl]-4-[(3-Hydroxyphenyl)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-(3-Hydroxybenzyl)Piperazin-1-Yl]-2-Hydroxy-Propyl]Carbamic Acid [(2R,3R)-2-Isopropyl-1,1-Diketo-Thiolan-3-Yl] Ester
• Molecular Formula: C₃₄H₅₀N₄O₇S
• Molecular Weight: 658.85
• CAS Registry Number: 159565-69-2
• SMILES: [C@@H]3(N(C[C@H]([C@@H](NC(O[C@H]1[C@H]([S](CC1)(=O)=O)C(C)C)=O)CC2=CC=CC=C2)O)CCN(C3)CC4=CC=CC(=C4)O)C(NC(C)(C)C)=O
• InChI: 1S/C34H50N4O7S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)35-27(19-24-10-7-6-8-11-24)29(40)22-38-16-15-37(20-25-12-9-13-26(39)18-25)21-28(38)32(41)36-34(3,4)5/h6-13,18,23,27-31,39-40H,14-17,19-22H2,1-5H3,(H,35,42)(H,36,41)/t27-,28-,29+,30+,31+/m0/s1
• InChIKey: DMISINIQIKNYRB-OXMBMXHISA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 880.906°C at 760 mmHg (Cal.)
• Flash point: 486.555°C (Cal.)