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Substance Name: Dihydrocyclosporin C
RN: 63556-15-0
InChIKey: HDCRMQFSACUFMR-UHFFFAOYSA-N

Molecular Formula

  • C62-H113-N11-O13

Molecular Weight

  • 1220.64
 
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Names and Synonyms

Name of Substance

  • Dihydrocyclosporin C

Synonym

  • Cyclosporin A, 6-((R-(R*,R*))-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-threonine-

Systematic Name

  • Cyclosporin A, 6-((3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-threonine-

Registry Numbers

CAS Registry Number

  • 63556-15-0

System Generated Number

  • 0063556150

Structure Descriptors

InChI

1S/C62H113N11O13/c1-26-27-28-38(12)50(76)49-54(79)66-47(41(15)74)59(84)67(19)32-45(75)71(23)51(62(16,17)18)55(80)65-46(36(8)9)60(85)68(20)42(29-33(2)3)53(78)63-39(13)52(77)64-40(14)56(81)69(21)43(30-34(4)5)57(82)70(22)44(31-35(6)7)58(83)72(24)48(37(10)11)61(86)73(49)25/h33-44,46-51,74,76H,26-32H2,1-25H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)

InChIKey

HDCRMQFSACUFMR-UHFFFAOYSA-N

Smiles

N1[C@@H](C(N([C@@H](C(N([C@@H](CC(C)C)C(=O)N([C@@H](C(C)C)C(=O)N([C@@H]([C@@H]([C@@H](CCCC)C)O)C(=O)N[C@@H](C(N(C)CC(=O)N([C@@H](C(N[C@@H](C(N([C@@H](C(N[C@@H](C1=O)C)=O)CC(C)C)C)=O)C(C)C)=O)C(C)(C)C)C)=O)[C@@H](C)O)C)C)C)=O)CC(C)C)C)=O)C