N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9,16-Dimethyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-1H-Pyrrole-2-Carboxamide
[CAS# 143728-97-6]

Identification

• Name: N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9,16-Dimethyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-1H-Pyrrole-2-Carboxamide
• Synonyms: N-[2-[[3,6-Bis(3,5-Dihydroxyphenyl)-9,16-Dimethyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-1H-Pyrrole-2-Carboxamide; N-[1-(Benzyl)-2-[[12-(Benzyl)-3,6-Bis(3,5-Dihydroxyphenyl)-2,5,8,11,14-Pentaketo-9,16-Dimethyl-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-2-Keto-Ethyl]-1H-Pyrrole-2-Carboxamide; N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9,16-Dimethyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenyl-Propan-2-Yl]-1H-Pyrrole-2-Carboxamide
• Molecular Formula: C₄₆H₄₇N₇O₁₂
• Molecular Weight: 889.92
• CAS Registry Number: 143728-97-6 (146925-27-1)
• SMILES: C6=C(C3NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1=CC=C[NH]1)CC2=CC=CC=C2)C(OC3=O)C)CC4=CC=CC=C4)C)C5=CC(=CC(=C5)O)O)C=C(O)C=C6O
• InChI: 1S/C46H47N7O12/c1-24-40(58)52-38(28-18-30(54)22-31(55)19-28)45(63)53-39(29-20-32(56)23-33(57)21-29)46(64)65-25(2)37(44(62)50-35(42(60)48-24)16-26-10-5-3-6-11-26)51-43(61)36(17-27-12-7-4-8-13-27)49-41(59)34-14-9-15-47-34/h3-15,18-25,35-39,47,54-57H,16-17H2,1-2H3,(H,48,60)(H,49,59)(H,50,62)(H,51,61)(H,52,58)(H,53,63)
• InChIKey: BAIAJPQVHAPGNS-UHFFFAOYSA-N

Properties

• Density: 1.492g/cm³ (Cal.)
• Boiling point: 1425.412°C at 760 mmHg (Cal.)
• Flash point: 815.86°C (Cal.)