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Substance Name: Cyclosporine metabolite M17
RN: 89270-28-0
InChIKey: ZPZHKIOMBYYVRD-CPEWUTAISA-N

Molecular Formula

  • C62-H111-N11-O13

Molecular Weight

  • 1218.62
 
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Names and Synonyms

Name of Substance

  • Cyclosporine metabolite M17

Synonyms

  • Csa M17
  • Cyclosporin metabolite m17
  • Hydroxycyclosporine
  • OL 17

Systematic Name

  • Cyclosporin A, 6-((3R,4R,6E)-6,7-didehydro-3,8-dihydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-

Registry Numbers

CAS Registry Number

  • 89270-28-0

System Generated Number

  • 0089270280

Structure Descriptors

InChI

1S/C62H111N11O13/c1-24-43-58(82)67(17)33-48(75)68(18)44(29-34(2)3)55(79)66-49(38(10)11)61(85)69(19)45(30-35(4)5)54(78)63-41(15)53(77)64-42(16)57(81)70(20)46(31-36(6)7)59(83)71(21)47(32-37(8)9)60(84)72(22)50(39(12)13)62(86)73(23)51(56(80)65-43)52(76)40(14)27-25-26-28-74/h25-26,34-47,49-52,74,76H,24,27-33H2,1-23H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/b26-25+/t40-,41+,42-,43+,44?,45+,46+,47+,49?,50?,51?,52-/m1/s1

InChIKey

ZPZHKIOMBYYVRD-CPEWUTAISA-N

Smiles

C1(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C([C@@H](NC([C@@H]([C@@H]([C@@H](C\C=C\CO)C)O)N(C([C@@H](N(C)C([C@@H](N(C([C@@H](N(C([C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N1C)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C(C)C)=O)C)=O)CC)=O)C