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Substance Name: Copper bleomycin
RN: 71794-63-3
InChIKey: OPSYKRSMSZOFSX-UHFFFAOYSA-L

Classification Code

  • Mutation Data

Molecular Formula

  • C55-H83-Cu-N17-O21-S3

Molecular Weight

  • 1476.09
 
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Names and Synonyms

Name of Substance

  • Copper bleomycin

Synonyms

  • Bleomycin A2-copper(II) complex
  • Bleomycinamide, N1-(3-(dimethylsulfonio)propyl)-, copper complex
  • Copper bleomycin

Systematic Name

  • Copper(2+), (N1-(3-(dimethylsulfonio)propyl)bleomycinamidato)-

Registry Numbers

CAS Registry Number

  • 71794-63-3

System Generated Number

  • 0071794633

Structure Descriptors

InChI

1S/C55H83N17O21S3.Cu/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);/q;+2/p-2

InChIKey

OPSYKRSMSZOFSX-UHFFFAOYSA-L

Smiles

C(c1nc(c2nc(cs2)C(NCCC[S+](C)C)=O)cs1)CNC(=O)[C@@H](NC([C@@H]([C@@H](O)[C@@H](C)NC([C@@H](NC(c1nc(nc(c1C)N)[C@@H](CC([NH2-])=O)NC[C@@H](N)C([NH2-])=O)=O)[C@@H](c1nc[nH]c1)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)OC([NH2-])=O)O)CO)=O)C)=O)[C@@H](C)O.[Cu+2]