[(2R,3S)-2-Methyl-1,1-Dioxothiolan-3-Yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(Tert-Butylcarbamoyl)-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridin-5-Yl]-3-Hydroxy-1-Phenylsulfanylbutan-2-Yl]Carbamate
[CAS# 169273-55-6]

Identification

• Name: [(2R,3S)-2-Methyl-1,1-Dioxothiolan-3-Yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(Tert-Butylcarbamoyl)-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridin-5-Yl]-3-Hydroxy-1-Phenylsulfanylbutan-2-Yl]Carbamate
• Synonyms: [(2R,3S)-2-Methyl-1,1-Dioxo-Thiolan-3-Yl] N-[(1R,2R)-3-[(3Ar,6S,7As)-6-(Tert-Butylcarbamoyl)-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-(Phenylsulfanylmethyl)Propyl]Carbamate; N-[(1R,2R)-3-[(3Ar,6S,7As)-6-[(Tert-Butylamino)-Oxomethyl]-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-[(Phenylthio)Methyl]Propyl]Carbamic Acid [(2R,3S)-2-Methyl-1,1-Dioxo-3-Thiolanyl] Ester; N-[(1R,2R)-3-[(3Ar,6S,7As)-6-(Tert-Butylcarbamoyl)-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridin-5-Yl]-2-Hydroxy-1-[(Phenylthio)Methyl]Propyl]Carbamic Acid [(2R,3S)-1,1-Diketo-2-Methyl-Thiolan-3-Yl] Ester
• Molecular Formula: C₂₈H₄₃N₃O₆S₃
• Molecular Weight: 613.84
• CAS Registry Number: 169273-55-6
• SMILES: [C@@H]12SCC[C@@H]1CN([C@@H](C2)C(=O)NC(C)(C)C)C[C@@H](O)[C@@H](NC(O[C@@H]3[C@H]([S](=O)(=O)CC3)C)=O)CSC4=CC=CC=C4
• InChI: 1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19-,21+,22+,23-,24+,25+/m1/s1
• InChIKey: SSAWLODCPROYGG-JJEHWUSNSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 864.379°C at 760 mmHg (Cal.)
• Flash point: 476.559°C (Cal.)