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Substance Name: Cyclosporin U
RN: 108027-45-8
UNII: SMP0V32C6L
InChIKey: FWMBRFVXLUJFCT-WKHWYDSQSA-N

Molecular Formula

  • C61-H109-N11-O12

Molecular Weight

  • 1188.5971
 
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Names and Synonyms

Name of Substance

  • Cyclosporin U

Synonyms

  • Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-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-L-leucyl)
  • Cyclosporin A, 11-L-leucine-
  • Cyclosporin U
  • UNII-SMP0V32C6L

Registry Numbers

CAS Registry Number

  • 108027-45-8

FDA UNII

  • SMP0V32C6L

System Generated Number

  • 0108027458

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)44(29-34(5)6)54(77)66-48(37(11)12)55(78)65-43(28-33(3)4)53(76)62-40(16)52(75)63-41(17)57(80)69(20)45(30-35(7)8)59(82)70(21)46(31-36(9)10)60(83)71(22)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,65,78)(H,66,77)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1

InChIKey

FWMBRFVXLUJFCT-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)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C(C)C)CC(C)C)C)C