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Substance Name: (melle-4)cyclosporin
RN: 143205-42-9
UNII: 96262S4I14
InChIKey: RPJPZDVUUKWPGT-FOIHOXPVSA-N

Note

  • A non-immunosuppressive analog of cyclosporin A.

Molecular Formula

  • C62-H111-N11-O12

Molecular Weight

  • 1202.6239
 
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Names and Synonyms

Name of Substance

  • (Melle-4)cyclosporin

Synonyms

  • (Melle-4)cyclosporin
  • 9-(N-Methyl-L-isoleucine)cyclosporin A
  • NIM 811
  • NIM-811
  • NIM811
  • Sdz nim811
  • Sdz-nim-811
  • UNII-96262S4I14

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143205-42-9

FDA UNII

  • 96262S4I14

System Generated Number

  • 0143205429

Structure Descriptors

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+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1

InChIKey

RPJPZDVUUKWPGT-FOIHOXPVSA-N

Smiles

CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C