Meala(6)-Cyclosporin A
[CAS# 111710-61-3]

Identification

• Name: Meala(6)-Cyclosporin A
• Synonyms: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-6,9,24-Triisobutyl-3,21-Diisopropyl-1,4,7,10,12,15,18,19,25,28-Decamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methylhex-4-Enyl]-6,9,24-Triisobutyl-3,21-Diisopropyl-1,4,7,10,12,15,18,19,25,28-Decamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-33-[(E,1R,2R)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-1,4,7,10,12,15,18,19,25,28-Decamethyl-6,9,24-Tris(2-Methylpropyl)-3,21-Di(Propan-2-Yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone
• Molecular Formula: C₅₉H₁₀₅N₁₁O₁₂
• Molecular Weight: 1160.55
• CAS Registry Number: 111710-61-3
• SMILES: [C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H](NC(=O)C(N(C1=O)C)[C@H](O)[C@@H](C\C=C\C)C)CC)C)C)CC(C)C)C(C)C)C)C)C)C)C)CC(C)C)C)CC(C)C)C)C(C)C
• InChI: 1S/C59H105N11O12/c1-24-26-27-37(13)49(72)48-53(76)62-41(25-2)55(78)64(17)31-45(71)66(19)42(28-32(3)4)52(75)63-46(35(9)10)58(81)65(18)40(16)51(74)60-38(14)50(73)61-39(15)54(77)67(20)43(29-33(5)6)56(79)68(21)44(30-34(7)8)57(80)69(22)47(36(11)12)59(82)70(48)23/h24,26,32-44,46-49,72H,25,27-31H2,1-23H3,(H,60,74)(H,61,73)(H,62,76)(H,63,75)/b26-24+/t37-,38+,39-,40+,41+,42+,43+,44+,46+,47+,48?,49-/m1/s1
• InChIKey: GBIWPCXWDSDANU-JYFGSSRXSA-N