2-Acetamido-N-[(2S,3S,4R,5S)-5-[(2-Acetamidobenzoyl)Amino]-3,4-Dihydroxy-1,6-Di(Phenyl)Hexan-2-Yl]Benzamide
[CAS# 173094-16-1]

Identification

• Name: 2-Acetamido-N-[(2S,3S,4R,5S)-5-[(2-Acetamidobenzoyl)Amino]-3,4-Dihydroxy-1,6-Di(Phenyl)Hexan-2-Yl]Benzamide
• Synonyms: 2-Acetamido-N-[(1S,2S,3R,4S)-4-[(2-Acetamidobenzoyl)Amino]-2,3-Dihydroxy-5-Phenyl-1-(Phenylmethyl)Pentyl]Benzamide; 2-Acetamido-N-[(1S,2S,3R,4S)-4-[[(2-Acetamidophenyl)-Oxomethyl]Amino]-2,3-Dihydroxy-5-Phenyl-1-(Phenylmethyl)Pentyl]Benzamide; 2-Acetamido-N-[(1S,2S,3R,4S)-4-[(2-Acetamidobenzoyl)Amino]-1-(Benzyl)-2,3-Dihydroxy-5-Phenyl-Pentyl]Benzamide
• Molecular Formula: C₃₆H₃₈N₄O₆
• Molecular Weight: 622.72
• CAS Registry Number: 173094-16-1
• SMILES: [C@@H](O)([C@H](O)[C@@H](NC(=O)C1=C(NC(=O)C)C=CC=C1)CC2=CC=CC=C2)[C@@H](NC(=O)C3=CC=CC=C3NC(=O)C)CC4=CC=CC=C4
• InChI: 1S/C36H38N4O6/c1-23(41)37-29-19-11-9-17-27(29)35(45)39-31(21-25-13-5-3-6-14-25)33(43)34(44)32(22-26-15-7-4-8-16-26)40-36(46)28-18-10-12-20-30(28)38-24(2)42/h3-20,31-34,43-44H,21-22H2,1-2H3,(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t31-,32-,33-,34+/m0/s1
• InChIKey: HTWBNRYUWQPLIP-GZXHTMMISA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 1034.118°C at 760 mmHg (Cal.)
• Flash point: 579.213°C (Cal.)