Complestatin
[CAS# 69598-75-0]

Identification

• Name: Complestatin
• Synonyms: Benzeneacetic Acid, Alpha-(((8,13-Bis(3,5-Dichloro-4-Hydroxyphenyl)-5-(((3,5-Dichloro-4-Hydroxyphenyl)Oxoacetyl)Amino)-2,4,5,6,7,8,9,10,10A,11,12,13,14,15,16,17-Hexadecahydro-31-Hydroxy-15-Methyl-6,9,11,14-Tetraoxo-18,21-Etheno-1,27:23,26-Dimethenopyrrolo(3',4':12,13)(1,4)Diazacyclohexadecino(6,5-D)(1,7,10)Oxadiazacyclohexadecin-16-Yl)Carbonyl)Amino)-4-Hydroxy-; Complestatin; Aids-003359
• Molecular Formula: C₆₁H₄₅Cl₆N₇O₁₅
• Molecular Weight: 1328.78
• CAS Registry Number: 69598-75-0
• SMILES: [NH]1C4=C5C(=C1)C[C@@H](NC(=O)C(=O)C2=CC(=C(O)C(=C2)Cl)Cl)C(=O)N[C@@H](C(=O)N[C@@H]6C3=CC(=C(O)C(=C3)C(=C4)C=C5)OC9=CC=C(C[C@H](N(C(=O)[C@H](NC6=O)C7=CC(=C(O)C(=C7)Cl)Cl)C)C(=O)N[C@H](C8=CC=C(O)C=C8)C(=O)O)C=C9)C%10=CC(=C(O)C(=C%10)Cl)Cl
• InChI: 1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47-,48-,49-/m1/s1
• InChIKey: JJGZGELTZPACID-OTLJHNKQSA-N

Properties

• Density: 1.752g/cm³ (Cal.)