9-(N-Methyl-L-isoleucine)cyclosporin A
[CAS# 143205-42-9]

Identification

• Name: 9-(N-Methyl-L-isoleucine)cyclosporin A
• Synonyms: 30-Ethyl-33-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-6,9,18-Triisobutyl-3,21-Diisopropyl-1,4,7,10,12,15,19,25,28-Nonamethyl-24-Sec-Butyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; 30-Ethyl-33-[(E)-1-Hydroxy-2-Methylhex-4-Enyl]-6,9,18-Triisobutyl-3,21-Diisopropyl-1,4,7,10,12,15,19,25,28-Nonamethyl-24-Sec-Butyl-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; 24-Butan-2-Yl-30-Ethyl-33-[(E)-1-Hydroxy-2-Methyl-Hex-4-Enyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18-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: C₆₂H₁₁₁N₁₁O₁₂
• Molecular Weight: 1202.63
• CAS Registry Number: 143205-42-9
• SMILES: C(C)C(C)C1N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC1=O)C(C)C
• InChI: 1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+
• InChIKey: RPJPZDVUUKWPGT-AZPGRJICSA-N

Properties

• Density: 1.018g/cm³ (Cal.)
• Boiling point: 1293.627°C at 760 mmHg (Cal.)
• Flash point: 736.159°C (Cal.)