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Substance Name: Bleomycinamide
RN: 41138-54-9
InChIKey: NYJRSYHHHBHHOR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C50-H73-N17-O21-S2

Molecular Weight

  • 1312.36
 
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Names and Synonyms

Synonyms

  • Bleomycin B'1
  • BRN 0605246

Systematic Name

  • Bleomycinamide

Registry Numbers

CAS Registry Number

  • 41138-54-9

System Generated Number

  • 0041138549

Structure Descriptors

InChI

1S/C50H73N17O21S2/c1-15-28(64-42(67-39(15)53)20(7-26(52)71)59-8-19(51)40(54)77)45(81)66-30(36(21-9-57-14-60-21)86-49-38(34(75)32(73)24(10-68)85-49)87-48-35(76)37(88-50(56)83)33(74)25(11-69)84-48)46(82)61-17(3)31(72)16(2)43(79)65-29(18(4)70)44(80)58-6-5-27-62-23(13-89-27)47-63-22(12-90-47)41(55)78/h9,12-14,16-20,24-25,29-38,48-49,59,68-70,72-76H,5-8,10-11,51H2,1-4H3,(H2,52,71)(H2,54,77)(H2,55,78)(H2,56,83)(H,57,60)(H,58,80)(H,61,82)(H,65,79)(H,66,81)(H2,53,64,67)

InChIKey

NYJRSYHHHBHHOR-UHFFFAOYSA-N

Smiles

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