Cyclosporin metabolite m25

Structural Information

Molecular Formula

C₆₁H₁₀₉N₁₁O₁₃

SMILES

CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)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

InChI

InChI=1S/C61H109N11O13/c1-23-42-57(81)67(17)32-47(74)64-43(28-33(2)3)53(77)66-48(37(10)11)60(84)68(18)44(29-34(4)5)54(78)62-40(15)52(76)63-41(16)56(80)69(19)45(30-35(6)7)58(82)70(20)46(31-36(8)9)59(83)71(21)49(38(12)13)61(85)72(22)50(55(79)65-42)51(75)39(14)26-24-25-27-73/h24-25,33-46,48-51,73,75H,23,26-32H2,1-22H3,(H,62,78)(H,63,76)(H,64,74)(H,65,79)(H,66,77)/b25-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1

InChIKey

YIRMXRJTZYYXFH-DCMUSGNWSA-N

Compound name

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1,6-dihydroxy-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,28-octamethyl-6,9,18,24-tetrakis(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

Related CIDs

• CID 118753624