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Substance Name: Dansylisocyclosporin A
RN: 134998-06-4
InChIKey: PEESMJPKWWGPHE-OHYPFYFLSA-N

Note

  • Used for high-performance liquid chromatography.

Molecular Formula

  • C74-H122-N12-O14-S

Molecular Weight

  • 1435.9138
 
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Names and Synonyms

Name of Substance

  • Dansylisocyclosporin A

Systematic Name

  • Isocyclosporin A, 1-(N-(2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)methylamino)-3-hydroxy-4-methyl-1-oxo-6-octenyl)-L-2-aminobutanoic acid)-, (2S-(2R*,3S*,4S*,6E))-

Registry Numbers

CAS Registry Number

  • 134998-06-4

System Generated Number

  • 0134998064

Structure Descriptors

InChI

1S/C74H122N12O14S/c1-27-29-32-48(15)64-63(86(26)101(98,99)59-36-31-33-51-52(59)34-30-35-54(51)79(18)19)68(91)77-53(28-2)70(93)80(20)41-60(87)81(21)55(37-42(3)4)67(90)78-61(46(11)12)73(96)82(22)56(38-43(5)6)66(89)75-49(16)65(88)76-50(17)69(92)83(23)57(39-44(7)8)71(94)84(24)58(40-45(9)10)72(95)85(25)62(47(13)14)74(97)100-64/h27,29-31,33-36,42-50,53,55-58,61-64H,28,32,37-41H2,1-26H3,(H,75,89)(H,76,88)(H,77,91)(H,78,90)/b29-27-

InChIKey

PEESMJPKWWGPHE-OHYPFYFLSA-N

Smiles

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)OC(C(C(=O)N1)N(C)S(=O)(=O)c2cccc3c2cccc3N(C)C)C(C)C/C=C\C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C