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Substance Name: Tricyclic cyclosporin A
RN: 153475-57-1
InChIKey: MUVQWTITGAVGIC-WJTDDFOZSA-N

Note

  • Tricyclic variant of cyclosporin A; inhibits the proliferation of T lymphocytes by forming a cyclophilin-cyclosporin-calcineurin complex.

Molecular Formula

  • C64-H111-N11-O12-S

Molecular Weight

  • 1258.7119
 
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Names and Synonyms

Name of Substance

  • Tricyclic cyclosporin A

Systematic Name

  • Cyclosporin A, 1-((3S-(3alpha,6beta,8aalpha))-hexahydro-5-oxo-6-amino-5H-thiazolo(3,2-a)pyridine-3-carboxylic acid)-2-de-D-alanine

Registry Numbers

CAS Registry Number

  • 153475-57-1

System Generated Number

  • 0153475571

Structure Descriptors

InChI

1S/C64H111N11O12S/c1-23-25-26-41(15)54(77)53-57(80)65-42(24-2)58(81)68(16)33-49(76)69(17)44(29-35(3)4)56(79)67-51(39(11)12)63(86)70(18)45(30-36(5)6)55(78)66-43-27-28-50-75(59(43)82)48(34-88-50)62(85)72(20)46(31-37(7)8)60(83)71(19)47(32-38(9)10)61(84)73(21)52(40(13)14)64(87)74(53)22/h23,25,35-48,50-54,77H,24,26-34H2,1-22H3,(H,65,80)(H,66,78)(H,67,79)/b25-23+

InChIKey

MUVQWTITGAVGIC-WJTDDFOZSA-N

Smiles

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC2CCC3N(C2=O)C(CS3)C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C