(2S)-N-(1-Cyclohexyl-3,4-Dihydroxy-5-Morpholin-4-Ylpentyl)-2-[[2-(Ethylsulfonylmethyl)-3-Naphthalen-1-Ylpropanoyl]Amino]Hexanamide
[CAS# 120716-81-6]

Identification

• Name: (2S)-N-(1-Cyclohexyl-3,4-Dihydroxy-5-Morpholin-4-Ylpentyl)-2-[[2-(Ethylsulfonylmethyl)-3-Naphthalen-1-Ylpropanoyl]Amino]Hexanamide
• Synonyms: (2S)-N-(1-Cyclohexyl-3,4-Dihydroxy-5-Morpholino-Pentyl)-2-[[2-(Ethylsulfonylmethyl)-3-(1-Naphthyl)Propanoyl]Amino]Hexanamide; (2S)-N-(1-Cyclohexyl-3,4-Dihydroxy-5-Morpholinopentyl)-2-[[2-(Ethylsulfonylmethyl)-3-(1-Naphthyl)-1-Oxopropyl]Amino]Hexanamide; (2S)-N-(1-Cyclohexyl-3,4-Dihydroxy-5-Morpholin-4-Yl-Pentyl)-2-[[2-(Ethylsulfonylmethyl)-3-Naphthalen-1-Yl-Propanoyl]Amino]Hexanamide
• Molecular Formula: C₃₇H₅₇N₃O₇S
• Molecular Weight: 687.93
• CAS Registry Number: 120716-81-6
• SMILES: [C@H](C(NC(CC(C(CN1CCOCC1)O)O)C2CCCCC2)=O)(NC(=O)C(C[S](=O)(=O)CC)CC3=C4C(=CC=C3)C=CC=C4)CCCC
• InChI: 1S/C37H57N3O7S/c1-3-5-18-32(38-36(43)30(26-48(45,46)4-2)23-29-16-11-15-27-12-9-10-17-31(27)29)37(44)39-33(28-13-7-6-8-14-28)24-34(41)35(42)25-40-19-21-47-22-20-40/h9-12,15-17,28,30,32-35,41-42H,3-8,13-14,18-26H2,1-2H3,(H,38,43)(H,39,44)/t30?,32-,33?,34?,35?/m0/s1
• InChIKey: KWZQSSZGRAYHPC-JVYWTFSOSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 951.128°C at 760 mmHg (Cal.)
• Flash point: 529.023°C (Cal.)