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Substance Name: Sdz 212-122
RN: 124824-01-7
InChIKey: QEICTVPFTXXWLS-SHHOIMCASA-N

Molecular Formula

  • C75-H121-F3-N14-O15

Molecular Weight

  • 1515.8579
 
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Names and Synonyms

Name of Substance

  • Sdz 212-122

Synonyms

  • PL-CS
  • Sdz-212-122

Systematic Name

  • Cyclosporin A, 2-(O-(1-oxo-4-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoyl)amino)butyl)-D-serine)-, labeled with tritium

Registry Numbers

CAS Registry Number

  • 124824-01-7

System Generated Number

  • 0124824017

Structure Descriptors

InChI

1S/C75H121F3N14O15/c1-24-26-28-47(15)62(95)61-67(100)81-51(25-2)68(101)86(17)39-57(93)87(18)53(35-41(3)4)66(99)83-59(45(11)12)72(105)88(19)54(36-42(5)6)65(98)80-48(16)63(96)82-52(40-107-58(94)29-27-34-79-64(97)49-30-32-50(33-31-49)74(84-85-74)75(76,77)78)69(102)89(20)55(37-43(7)8)70(103)90(21)56(38-44(9)10)71(104)91(22)60(46(13)14)73(106)92(61)23/h24,26,30-33,41-48,51-56,59-62,95H,25,27-29,34-40H2,1-23H3,(H,79,97)(H,80,98)(H,81,100)(H,82,96)(H,83,99)/b26-24+

InChIKey

QEICTVPFTXXWLS-SHHOIMCASA-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)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COC(=O)CCCNC(=O)c2ccc(cc2)C3(N=N3)C(F)(F)F)C)CC(C)C)C)C(C)C)CC(C)C)C)C