2-[3-[11-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Undecanoylamino]Propoxy]-4-[(5,5,8,8-Tetramethyl6,7-Dihydronaphthalene-2-Carbonyl)Amino]Benzoic Acid
[CAS# 137757-03-0]

Identification

• Name: 2-[3-[11-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Undecanoylamino]Propoxy]-4-[(5,5,8,8-Tetramethyl6,7-Dihydronaphthalene-2-Carbonyl)Amino]Benzoic Acid
• Synonyms: 2-[3-[11-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Undecanoylamino]Propoxy]-4-[(1,1,4,4-Tetramethyltetralin-6-Carbonyl)Amino]Benzoic Acid; 2-[3-[[11-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-1-Oxoundecyl]Amino]Propoxy]-4-[[Oxo-(1,1,4,4-Tetramethyl-6-Tetralinyl)Methyl]Amino]Benzoic Acid; 2-[3-[11-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Undecanoylamino]Propoxy]-4-[(5,5,8,8-Tetramethyl-6,7-Dihydronaphthalen-2-Yl)Carbonylamino]Benzoic Acid
• Molecular Formula: C₄₈H₆₄N₄O₇S
• Molecular Weight: 841.12
• CAS Registry Number: 137757-03-0
• SMILES: C1=C(C(=CC=C1NC(=O)C3=CC=C2C(CCC(C2=C3)(C)C)(C)C)C(=O)O)OCCCNC(CCCCCCCCCCN[S](=O)(=O)C4=C5C(=CC=C4)C(=CC=C5)N(C)C)=O
• InChI: 1S/C48H64N4O7S/c1-47(2)27-28-48(3,4)40-32-34(23-26-39(40)47)45(54)51-35-24-25-38(46(55)56)42(33-35)59-31-17-29-49-44(53)22-13-11-9-7-8-10-12-14-30-50-60(57,58)43-21-16-18-36-37(43)19-15-20-41(36)52(5)6/h15-16,18-21,23-26,32-33,50H,7-14,17,22,27-31H2,1-6H3,(H,49,53)(H,51,54)(H,55,56)
• InChIKey: XNMARPWJSQWVGC-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)