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Substance Name: Cyclosporin D
RN: 63775-96-2
UNII: 8ZD3I5M2HF
InChIKey: ZNVBEWJRWHNZMK-SYOLRUPNSA-N

Molecular Formula

  • C63-H113-N11-O12

Molecular Weight

  • 1216.6507
 
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Names and Synonyms

Name of Substance

  • Cyclosporin D

Synonym

  • UNII-8ZD3I5M2HF

Systematic Name

  • Cyclosporin A, 7-L-valine-

Registry Numbers

CAS Registry Number

  • 63775-96-2

FDA UNII

  • 8ZD3I5M2HF

System Generated Number

  • 0063775962

Structure Descriptors

InChI

1S/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+,53-/m1/s1

InChIKey

ZNVBEWJRWHNZMK-SYOLRUPNSA-N

Smiles

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