2-(O-(1-oxo-4-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoyl)amino)butyl)-D-serine)-Cyclosporin A
[CAS# 124824-01-7]

Identification

• Name: 2-(O-(1-oxo-4-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoyl)amino)butyl)-D-serine)-Cyclosporin A
• Synonyms: [17-Ethyl-14-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-5,8,23,29-Tetraisobutyl-11,26-Diisopropyl-4,7,10,13,19,22,28,32-Octamethyl-3,6,9,12,15,18,21,24,27,30,33-Undecaoxo-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacont-2-Yl]Methyl 4-[[4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzoyl]Amino]Butanoate; 4-[[Oxo-[4-[3-(Trifluoromethyl)-3-Diazirinyl]Phenyl]Methyl]Amino]Butanoic Acid [17-Ethyl-14-[(E)-1-Hydroxy-2-Methylhex-4-Enyl]-5,8,23,29-Tetraisobutyl-11,26-Diisopropyl-4,7,10,13,19,22,28,32-Octamethyl-3,6,9,12,15,18,21,24,27,30,33-Undecaoxo-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacont-2-Yl]Methyl Ester; 4-[[4-[3-(Trifluoromethyl)Diazirin-3-Yl]Benzoyl]Amino]Butyric Acid [17-Ethyl-14-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-5,8,23,29-Tetraisobutyl-11,26-Diisopropyl-3,6,9,12,15,18,21,24,27,30,33-Undecaketo-4,7,10,13,19,22,28,32-Octamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacont-2-Yl]Methyl Ester
• Molecular Formula: C₇₅H₁₂₁F₃N₁₄O₁₅
• Molecular Weight: 1515.86
• CAS Registry Number: 124824-01-7
• SMILES: C2=C(C1(N=N1)C(F)(F)F)C=CC(=C2)C(=O)NCCCC(OCC3NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(N(C(=O)CN(C(=O)C(NC(=O)C(N(C(=O)C(N(C(=O)C(N(C(=O)C(N(C3=O)C)CC(C)C)C)CC(C)C)C)C(C)C)C)C(O)C(C\C=C\C)C)CC)C)C)CC(C)C)C(C)C)C)CC(C)C)C)=O
• InChI: 1S/C75H121F3N14O15/c1-24-26-28-47(15)62(95)61-67(100)81-51(25-2)68(101)86(17)39-57(93)87(18)53(35-41(3)4)66(99)83-59(45(11)12)72(105)88(19)54(36-42(5)6)65(98)80-48(16)63(96)82-52(40-107-58(94)29-27-34-79-64(97)49-30-32-50(33-31-49)74(84-85-74)75(76,77)78)69(102)89(20)55(37-43(7)8)70(103)90(21)56(38-44(9)10)71(104)91(22)60(46(13)14)73(106)92(61)23/h24,26,30-33,41-48,51-56,59-62,95H,25,27-29,34-40H2,1-23H3,(H,79,97)(H,80,98)(H,81,100)(H,82,96)(H,83,99)/b26-24+
• InChIKey: QEICTVPFTXXWLS-SHHOIMCASA-N

Properties

• Density: 1.239g/cm³ (Cal.)