Cyclosporin A, 9-(N-methyl-L-isoleucine)-

Molecular Formula: C₆₂H₁₁₁N₁₁O₁₂

InChI: InChI=1/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+/f/h63-66H

InChIKey: InChIKey=RPJPZDVUUKWPGT-UAXYGBMYDR
SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C

Names:
    Cyclosporin A, 9-(N-methyl-L-isoleucine)-
    Sdz nim 811
    Sdz nim811
    Sdz-nim-811
    (Melle-4)cyclosporin
    143205-42-9
    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-dipropan-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
    9-(N-Methyl-L-isoleucine)cyclosporin A

Registries:
    PubChem CID 6436011
    PubChem ID 206955