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Substance Name: Cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-
RN: 114865-22-4
InChIKey: RGIOCYRKFMXZGI-BFGUSBJVSA-N

Molecular Formula

  • C63-H113-N11-O12

Molecular Weight

  • 1216.65
 
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Names and Synonyms

Name of Substance

  • Cyclosporin A, 4-(2-butenyl)-4,4,N-trimethylthreonine(1)-

Synonyms

  • (Mebm(2)t)(1)-csa
  • (Mebm2t)-csa
  • 4-(2-Butenyl)-4,4,N-trimethyl-threonine(1)-cyclosporin A
  • 4-(2-Butenyl)-4,4,N-trimethyl-tyr(1)-cyclosporin A
  • 6-((3R,6E)-6,7-Didehydro-3-hydroxy-N,4,4-trimethyl-L-2-aminooctanoic acid)cyclosporin A
  • N-Methyl-4-((E)-2-butenyl)-4,4-dimethylthreonine cyclosporin A

Systematic Name

  • Cyclosporin A, 6-((3R,6E)-6,7-didehydro-3-hydroxy-N,4,4-trimethyl-L-2-aminooctanoic acid)-

Registry Numbers

CAS Registry Number

  • 114865-22-4

System Generated Number

  • 0114865224

Structure Descriptors

InChI

1S/C63H113N11O12/c1-26-28-29-63(17,18)52(76)51-56(80)66-43(27-2)58(82)68(19)34-48(75)69(20)44(30-35(3)4)55(79)67-49(39(11)12)61(85)70(21)45(31-36(5)6)54(78)64-41(15)53(77)65-42(16)57(81)71(22)46(32-37(7)8)59(83)72(23)47(33-38(9)10)60(84)73(24)50(40(13)14)62(86)74(51)25/h26,28,35-47,49-52,76H,27,29-34H2,1-25H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-26+/t41-,42+,43-,44-,45-,46-,47-,49-,50-,51?,52-/m0/s1

InChIKey

RGIOCYRKFMXZGI-BFGUSBJVSA-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(C\C=C\C)(C)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