(2S,5S)-5-[[(2S)-1-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Propan-2-Ylhexanamide
[CAS# 138571-29-6]

Identification

• Name: (2S,5S)-5-[[(2S)-1-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Propan-2-Ylhexanamide
• Synonyms: (2S,5S)-5-[[(1S)-1-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Carbamoyl]Pentyl]Amino]-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Isopropyl-Hexanamide; (2S,5S)-5-[[(1S)-1-[[[(2S)-2-Acetamido-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]Pentyl]Amino]-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Isopropylhexanamide; (2S,5S)-5-[[(2S)-1-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Amino]-1-Oxo-Hexan-2-Yl]Amino]-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Propan-2-Yl-Hexanamide
• Molecular Formula: C₃₆H₆₀N₄O₅
• Molecular Weight: 628.89
• CAS Registry Number: 138571-29-6
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)C)CC1=CC=CC=C1)=O)(N[C@H](C(C[C@@H](C(C)C)C(=O)NCCCC)O)CC2CCCCC2)CCCC
• InChI: 1S/C36H60N4O5/c1-6-8-20-30(35(44)40-36(45)32(38-26(5)41)23-28-18-14-11-15-19-28)39-31(22-27-16-12-10-13-17-27)33(42)24-29(25(3)4)34(43)37-21-9-7-2/h11,14-15,18-19,25,27,29-33,39,42H,6-10,12-13,16-17,20-24H2,1-5H3,(H,37,43)(H,38,41)(H,40,44,45)/t29-,30-,31-,32-,33?/m0/s1
• InChIKey: NMLVMVCRKNQPKK-YVUMPBECSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 841.523°C at 760 mmHg (Cal.)
• Flash point: 462.736°C (Cal.)