Cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-

Molecular Formula: C₆₃H₁₁₃N₁₁O₁₂

InChI: InChI=1/C63H113N11O12/c1-26-28-29-63(17,18)52(76)51-56(80)66-43(27-2)58(82)68(19)34-48(75)69(20)44(30-35(3)4)55(79)67-49(39(11)12)61(85)70(21)45(31-36(5)6)54(78)64-41(15)53(77)65-42(16)57(81)71(22)46(32-37(7)8)59(83)72(23)47(33-38(9)10)60(84)73(24)50(40(13)14)62(86)74(51)25/h26,28,35-47,49-52,76H,27,29-34H2,1-25H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-26+/t41-,42+,43-,44-,45-,46+,47-,49-,50-,51?,52-/m0/s1/f/h64-67H

InChIKey: InChIKey=RGIOCYRKFMXZGI-FLGVARSVDA
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)(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)CC(C)C)C)C

Names:
    Cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-
    Cyclosporin A, 6-((3R,6E)-6,7-didehydro-3-hydroxy-N,4,4-trimethyl-L-2-aminooctanoic acid)-
    N-Methyl-4-((E)-2-butenyl)-4,4-dimethylthreonine cyclosporin A
    (Mebm(2)t)(1)-csa
    (Mebm2t)-csa
    (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1S)-1-hydroxy-2,2-dimethyl-hex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(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
    114865-22-4
    4-(2-Butenyl)-4,4,N-trimethyl-threonine(1)-cyclosporin A
    4-(2-Butenyl)-4,4,N-trimethyl-tyr(1)-cyclosporin A
    6-((3R,6E)-6,7-Didehydro-3-hydroxy-N,4,4-trimethyl-L-2-aminooctanoic acid)cyclosporin A

Registries:
    PubChem CID 6436251
    PubChem ID 215498