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Substance Name: Bleomycin A5196
RN: 58071-32-2
UNII: U7YRW695KQ
InChIKey: IPUPASGXCCCXGQ-PBRMLXTFSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C64-H99-Cl-N20-O21-S2

Molecular Weight

  • 1584.1901
 
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Names and Synonyms

Results Name

  • Bleomycin A5196

Name of Substance

  • Bleomycin A-5196

Synonyms

  • A 5196
  • Antibiotic A 5196
  • Bleomycin-A5196
  • CCRIS 1243
  • N1-(3-((3-((2-(4-Chlorocyclohexyl)-1-iminoethyl)amino)propyl)amino)propyl)bleomycinamide
  • UNII-U7YRW695KQ

Systematic Names

  • Bleomycin A5196
  • Bleomycinamide, N(sup 1)-(3-((3-((2-(4-chlorocyclohexyl)-1-iminoethyl)amino)propyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 58071-32-2

FDA UNII

  • U7YRW695KQ

System Generated Number

  • 0058071322

Structure Descriptors

InChI

1S/C64H99ClN20O21S2/c1-26-42(82-55(85-53(26)69)33(18-40(68)89)77-19-32(66)54(70)95)59(99)84-44(50(34-20-73-25-78-34)104-63-52(48(93)46(91)37(21-86)103-63)105-62-49(94)51(106-64(71)101)47(92)38(22-87)102-62)60(100)79-28(3)45(90)27(2)56(96)83-43(29(4)88)58(98)76-16-11-41-80-36(24-107-41)61-81-35(23-108-61)57(97)75-15-6-13-72-12-5-14-74-39(67)17-30-7-9-31(65)10-8-30/h20,23-25,27-33,37-38,43-52,62-63,72,77,86-88,90-94H,5-19,21-22,66H2,1-4H3,(H2,67,74)(H2,68,89)(H2,70,95)(H2,71,101)(H,73,78)(H,75,97)(H,76,98)(H,79,100)(H,83,96)(H,84,99)(H2,69,82,85)/t27-,28+,29+,30?,31?,32-,33-,37-,38+,43-,44-,45-,46+,47+,48-,49-,50-,51-,52-,62+,63-/m0/s1

InChIKey

IPUPASGXCCCXGQ-PBRMLXTFSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCNC(=N)CC7CCC(Cl)CC7