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Substance Name: Dihydrocyclosporin A
RN: 59865-15-5
InChIKey: TYFOVYYNQGNDKH-CJOIJTDBSA-N

Molecular Formula

  • C62-H113-N11-O12

Molecular Weight

  • 1204.64
 
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Names and Synonyms

Name of Substance

  • Dihydrocyclosporin A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59865-15-5

System Generated Number

  • 0059865155

Structure Descriptors

InChI

1S/C62H113N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h34-47,49-52,75H,25-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51?,52-/m1/s1

InChIKey

TYFOVYYNQGNDKH-CJOIJTDBSA-N

Smiles

N1(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC(=O)[C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC([C@@H]1[C@@H]([C@@H](CCCC)C)O)=O)CC)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C