(3aR,6S,7aS)-N-Tert-Butyl-5-[(2R,3S)-3-[[(2S)-3-(4-Fluorophenyl)Sulfonyl-2-Methanesulfonamidopropanoyl]Amino]-2-Hydroxy-4-Phenylbutyl]-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridine-6-Carboxamide
[CAS# 169168-43-8]

Identification

• Name: (3aR,6S,7aS)-N-Tert-Butyl-5-[(2R,3S)-3-[[(2S)-3-(4-Fluorophenyl)Sulfonyl-2-Methanesulfonamidopropanoyl]Amino]-2-Hydroxy-4-Phenylbutyl]-3,3a,4,6,7,7a-Hexahydro-2H-Thieno[2,3-d]Pyridine-6-Carboxamide
• Synonyms: (3Ar,6S,7As)-N-Tert-Butyl-5-[(2R,3S)-3-[[(2S)-3-(4-Fluorophenyl)Sulfonyl-2-Methanesulfonamido-Propanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide; (3Ar,6S,7As)-N-Tert-Butyl-5-[(2R,3S)-3-[[(2S)-3-(4-Fluorophenyl)Sulfonyl-2-Methanesulfonamido-1-Oxopropyl]Amino]-2-Hydroxy-4-Phenylbutyl]-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide; (3Ar,6S,7As)-N-Tert-Butyl-5-[(2R,3S)-3-[[(2S)-3-(4-Fluorophenyl)Sulfonyl-2-(Methylsulfonylamino)Propanoyl]Amino]-2-Hydroxy-4-Phenyl-Butyl]-3,3A,4,6,7,7A-Hexahydro-2H-Thieno[2,3-D]Pyridine-6-Carboxamide
• Molecular Formula: C₃₂H₄₅FN₄O₇S₃
• Molecular Weight: 712.91
• CAS Registry Number: 169168-43-8
• 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](N[S](=O)(=O)C)C[S](=O)(=O)C3=CC=C(F)C=C3)CC4=CC=CC=C4
• InChI: 1S/C32H45FN4O7S3/c1-32(2,3)35-31(40)27-17-29-22(14-15-45-29)18-37(27)19-28(38)25(16-21-8-6-5-7-9-21)34-30(39)26(36-46(4,41)42)20-47(43,44)24-12-10-23(33)11-13-24/h5-13,22,25-29,36,38H,14-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27+,28-,29+/m1/s1
• InChIKey: LYXPKYLWOJGHAC-CMMBNUEMSA-N

Properties

• Density: 1.313g/cm³ (Cal.)