Dansylisocyclosporin A
[CAS# 134998-06-4]

Identification

• Name: Dansylisocyclosporin A
• Synonyms: 5-Dimethylamino-N-[30-Ethyl-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-4,7,10,12,15,19,25,28-Octamethyl-34-[(Z)-1-Methylpent-3-Enyl]-2,5,8,11,14,17,20,23,26,29,32-Undecaoxo-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetratriacont-33-Yl]-N-Methyl-Naphthalene-1-Sulfonamide; 5-Dimethylamino-N-[30-Ethyl-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-4,7,10,12,15,19,25,28-Octamethyl-34-[(Z)-1-Methylpent-3-Enyl]-2,5,8,11,14,17,20,23,26,29,32-Undecaoxo-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetratriacont-33-Yl]-N-Methyl-1-Naphthalenesulfonamide; 5-Dimethylamino-N-[30-Ethyl-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-2,5,8,11,14,17,20,23,26,29,32-Undecaketo-4,7,10,12,15,19,25,28-Octamethyl-34-[(Z)-1-Methylpent-3-Enyl]-1-Oxa-4,7,10,13,16,19,22,25,28,31-Decazacyclotetratriacont-33-Yl]-N-Methyl-Naphthalene-1-Sulfonamide
• Molecular Formula: C₇₄H₁₂₂N₁₂O₁₄S
• Molecular Weight: 1435.91
• CAS Registry Number: 134998-06-4
• SMILES: C1=CC=C3C(=C1[S](=O)(=O)N(C2C(OC(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)CN(C(=O)C(NC2=O)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)C(C\C=C/C)C)C)C=CC=C3N(C)C
• InChI: 1S/C74H122N12O14S/c1-27-29-32-48(15)64-63(86(26)101(98,99)59-36-31-33-51-52(59)34-30-35-54(51)79(18)19)68(91)77-53(28-2)70(93)80(20)41-60(87)81(21)55(37-42(3)4)67(90)78-61(46(11)12)73(96)82(22)56(38-43(5)6)66(89)75-49(16)65(88)76-50(17)69(92)83(23)57(39-44(7)8)71(94)84(24)58(40-45(9)10)72(95)85(25)62(47(13)14)74(97)100-64/h27,29-31,33-36,42-50,53,55-58,61-64H,28,32,37-41H2,1-26H3,(H,75,89)(H,76,88)(H,77,91)(H,78,90)/b29-27-
• InChIKey: PEESMJPKWWGPHE-OHYPFYFLSA-N

Properties

• Density: 1.194g/cm³ (Cal.)