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Substance Name: 8-(N-Methylalanine)cyclosporin A
RN: 108466-41-7
InChIKey: QEHCSSQYOJCSKZ-KEPYCBRXSA-N

Note

  • Has weaker immunosuppressive activity than cyclosporin A.

Molecular Weight

  • 1216.6507
 
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Names and Synonyms

Name of Substance

  • 8-(N-Methylalanine)cyclosporin A

Synonyms

  • 8-(N-Methyl-D-alanine)cyclosporin A
  • 8-(N-Methyl-L-alanine)cyclosporin A
  • Meala(3)Cs

Registry Numbers

CAS Registry Number

  • 108466-41-7

System Generated Number

  • 0108466417

Structure Descriptors

InChI

1S/C63H113N11O12/c1-26-28-29-40(15)52(75)51-56(79)66-44(27-2)59(82)68(19)43(18)58(81)69(20)46(31-35(5)6)55(78)67-49(38(11)12)62(85)70(21)45(30-34(3)4)54(77)64-41(16)53(76)65-42(17)57(80)71(22)47(32-36(7)8)60(83)72(23)48(33-37(9)10)61(84)73(24)50(39(13)14)63(86)74(51)25/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51?,52-/m1/s1

InChIKey

QEHCSSQYOJCSKZ-KEPYCBRXSA-N

Smiles

CC[C@H]1C(=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)N(C(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)C)CC(C)C)C)C)C