(3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-Acetamido-3-Naphthalen-2-Ylsulfonylpropanoyl]Amino]-2-Hydroxy-4-Phenylbutyl]-N-Tert-Butyl-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridine-6-Carboxamide
[CAS# 173967-60-7]

Identification

• Name: (3aR,6S,7aS)-5-[(2R,3S)-3-[[(2S)-2-Acetamido-3-Naphthalen-2-Ylsulfonylpropanoyl]Amino]-2-Hydroxy-4-Phenylbutyl]-N-Tert-Butyl-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridine-6-Carboxamide
• Synonyms: (3Ar,6S,7As)-5-[(2R,3S)-3-[[(2S)-2-Acetamido-3-(2-Naphthylsulfonyl)Propanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-N-Tert-Butyl-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide; (3Ar,6S,7As)-5-[(2R,3S)-3-[[(2S)-2-Acetamido-3-(2-Naphthylsulfonyl)-1-Oxopropyl]Amino]-2-Hydroxy-4-Phenylbutyl]-N-Tert-Butyl-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide; (3Ar,6S,7As)-5-[(2R,3S)-3-[[(2S)-2-Acetamido-3-Naphthalen-2-Ylsulfonyl-Propanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-N-Tert-Butyl-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide
• Molecular Formula: C₃₇H₄₈N₄O₆S₂
• Molecular Weight: 708.93
• CAS Registry Number: 173967-60-7
• 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](NC(=O)C)C[S](=O)(=O)C4=CC3=CC=CC=C3C=C4)CC5=CC=CC=C5
• InChI: 1S/C37H48N4O6S2/c1-24(42)38-31(23-49(46,47)29-15-14-26-12-8-9-13-27(26)19-29)35(44)39-30(18-25-10-6-5-7-11-25)33(43)22-41-21-28-16-17-48-34(28)20-32(41)36(45)40-37(2,3)4/h5-15,19,28,30-34,43H,16-18,20-23H2,1-4H3,(H,38,42)(H,39,44)(H,40,45)/t28-,30+,31-,32+,33-,34+/m1/s1
• InChIKey: HSMOPCIGLSCZAN-LQLDJECCSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 1026.826°C at 760 mmHg (Cal.)
• Flash point: 574.804°C (Cal.)