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Substance Name: Manganese bleomycin
RN: 89725-97-3
InChIKey: HHERHQGQESDPBJ-UHFFFAOYSA-M

Molecular Formula

  • C55-H83-Mn-N20-O21-S2

Molecular Weight

  • 1479.4497
 
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Names and Synonyms

Name of Substance

  • Manganese bleomycin

Synonyms

  • Mn(III)-Bleomycin
  • Mn-Bleomycin

Systematic Name

  • Manganese(2+), (N1-(4-((aminoiminomethyl)amino)butyl)bleomycinamidato)-

Registry Numbers

CAS Registry Number

  • 89725-97-3

System Generated Number

  • 0089725973

Structure Descriptors

InChI

1S/C55H84N20O21S2.Mn/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61;/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H18,57,58,59,60,61,62,63,64,65,66,68,69,72,73,74,75,79,85,86,87,88,89,90,91);/q;+3/p-1

InChIKey

HHERHQGQESDPBJ-UHFFFAOYSA-M

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)[N-]C(C(c2c[nH]cn2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=N)N)O.[Mn+3]