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Substance Name: Bleomycin A'2-C
RN: 62960-69-4
InChIKey: XONNZOVMPIEEMM-UHFFFAOYSA-N

Molecular Formula

  • C55-H79-N19-O21-S2

Molecular Weight

  • 1406.47
 
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Names and Synonyms

Results Name

  • Bleomycin A'2-C

Synonyms

  • CCRIS 1258
  • N1-(2-(1H-Imidazol-4-yl)ethyl)bleomycinamide

Systematic Names

  • Bleomycin A'2-C
  • Bleomycinamide, N1-(2-(1H-imidazol-4-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 62960-69-4

System Generated Number

  • 0062960694

Structure Descriptors

InChI

1S/C55H79N19O21S2/c1-19-33(71-46(74-44(19)58)25(9-31(57)78)65-11-24(56)45(59)84)50(88)73-35(41(26-12-62-18-67-26)93-54-43(39(82)37(80)29(13-75)92-54)94-53-40(83)42(95-55(60)90)38(81)30(14-76)91-53)51(89)68-21(3)36(79)20(2)47(85)72-34(22(4)77)49(87)64-8-6-32-69-28(16-96-32)52-70-27(15-97-52)48(86)63-7-5-23-10-61-17-66-23/h10,12,15-18,20-22,24-25,29-30,34-43,53-54,65,75-77,79-83H,5-9,11,13-14,56H2,1-4H3,(H2,57,78)(H2,59,84)(H2,60,90)(H,61,66)(H,62,67)(H,63,86)(H,64,87)(H,68,89)(H,72,85)(H,73,88)(H2,58,71,74)

InChIKey

XONNZOVMPIEEMM-UHFFFAOYSA-N

Smiles

c1(nc(C(=O)N[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)OC(=O)N)O)CO)c2[nH]cnc2)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc2scc(n2)c2scc(n2)C(NCCc2[nH]cnc2)=O)=O)[C@@H](C)O)=O)C)O)C)=O)c(c(N)n1)C)[C@@H](NC[C@@H](N)C(=O)N)CC(=O)N