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Substance Name: Cyclosporin E
RN: 63798-73-2
UNII: 26496N541O
InChIKey: SYXYUKMELXLDBD-WKHWYDSQSA-N

Molecular Formula

  • C61-H109-N11-O12

Molecular Weight

  • 1188.5971
 
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Names and Synonyms

Name of Substance

  • Cyclosporin E

Synonyms

  • Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl
  • Cyclosporin A, 5-L-valine-
  • Cyclosporin E
  • Cyclosporin E, (-)-
  • UNII-26496N541O

Registry Numbers

CAS Registry Number

  • 63798-73-2

FDA UNII

  • 26496N541O

System Generated Number

  • 0063798732

Structure Descriptors

InChI

1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)43(28-33(3)4)54(77)65-48(37(11)12)60(83)70(21)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)71(22)46(31-36(9)10)59(82)69(20)45(30-35(7)8)55(78)66-49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,78)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1

InChIKey

SYXYUKMELXLDBD-WKHWYDSQSA-N

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/C)O)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