N-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-[[2-[(2-Hydroxyacetyl)Amino]Benzoyl]Amino]-1,6-Di(Phenyl)Hexan-2-Yl]-2-[(2-Hydroxyacetyl)Amino]Benzamide
[CAS# 173094-23-0]

Identification

• Name: N-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-[[2-[(2-Hydroxyacetyl)Amino]Benzoyl]Amino]-1,6-Di(Phenyl)Hexan-2-Yl]-2-[(2-Hydroxyacetyl)Amino]Benzamide
• Synonyms: N-[(1S,2S,3R,4S)-2,3-Dihydroxy-4-[[2-[(2-Hydroxyacetyl)Amino]Benzoyl]Amino]-5-Phenyl-1-(Phenylmethyl)Pentyl]-2-[(2-Hydroxyacetyl)Amino]Benzamide; N-[(1S,2S,3R,4S)-2,3-Dihydroxy-4-[[[2-[(2-Hydroxy-1-Oxoethyl)Amino]Phenyl]-Oxomethyl]Amino]-5-Phenyl-1-(Phenylmethyl)Pentyl]-2-[(2-Hydroxy-1-Oxoethyl)Amino]Benzamide; N-[(1S,2S,3R,4S)-1-(Benzyl)-4-[[2-(Glycoloylamino)Benzoyl]Amino]-2,3-Dihydroxy-5-Phenyl-Pentyl]-2-(Glycoloylamino)Benzamide
• Molecular Formula: C₃₆H₃₈N₄O₈
• Molecular Weight: 654.72
• CAS Registry Number: 173094-23-0
• SMILES: [C@@H](O)([C@H](O)[C@@H](NC(=O)C1=C(NC(=O)CO)C=CC=C1)CC2=CC=CC=C2)[C@@H](NC(=O)C3=CC=CC=C3NC(=O)CO)CC4=CC=CC=C4
• InChI: 1S/C36H38N4O8/c41-21-31(43)37-27-17-9-7-15-25(27)35(47)39-29(19-23-11-3-1-4-12-23)33(45)34(46)30(20-24-13-5-2-6-14-24)40-36(48)26-16-8-10-18-28(26)38-32(44)22-42/h1-18,29-30,33-34,41-42,45-46H,19-22H2,(H,37,43)(H,38,44)(H,39,47)(H,40,48)/t29-,30-,33-,34+/m0/s1
• InChIKey: VCKXFROSAYMEHX-DCSZGZOJSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 1120.72°C at 760 mmHg (Cal.)
• Flash point: 631.589°C (Cal.)