N-[(2S,3S,5R)-1-Cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonyl-hexan-2-yl]-2-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]pentanamide
[CAS# 117760-71-1]

Identification

• Name: N-[(2S,3S,5R)-1-Cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonyl-hexan-2-yl]-2-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]pentanamide
• Synonyms: N-[(1S,2S,4R)-1-(Cyclohexylmethyl)-2-Hydroxy-5-Isopropylsulfonyl-4-Methyl-Pentyl]-2-[[3-Phenyl-2-(Phenylmethyl)Propanoyl]Amino]Pentanamide; N-[(1S,2S,4R)-1-(Cyclohexylmethyl)-2-Hydroxy-5-Isopropylsulfonyl-4-Methylpentyl]-2-[[1-Oxo-3-Phenyl-2-(Phenylmethyl)Propyl]Amino]Pentanamide; 2-[[2-(Benzyl)-3-Phenyl-Propanoyl]Amino]-N-[(1S,2S,4R)-1-(Cyclohexylmethyl)-2-Hydroxy-5-Isopropylsulfonyl-4-Methyl-Pentyl]Valeramide
• Molecular Formula: C₃₇H₅₆N₂O₅S
• Molecular Weight: 640.92
• CAS Registry Number: 117760-71-1
• SMILES: [C@@H](NC(C(NC(C(CC1=CC=CC=C1)CC2=CC=CC=C2)=O)CCC)=O)([C@H](C[C@H](C[S](=O)(=O)C(C)C)C)O)CC3CCCCC3
• InChI: 1S/C37H56N2O5S/c1-5-15-33(38-36(41)32(23-29-16-9-6-10-17-29)24-30-18-11-7-12-19-30)37(42)39-34(25-31-20-13-8-14-21-31)35(40)22-28(4)26-45(43,44)27(2)3/h6-7,9-12,16-19,27-28,31-35,40H,5,8,13-15,20-26H2,1-4H3,(H,38,41)(H,39,42)/t28-,33?,34+,35+/m1/s1
• InChIKey: NVRDSEWNJXFSGD-UMZFBTNNSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 864.802°C at 760 mmHg (Cal.)
• Flash point: 476.815°C (Cal.)